4-hydroxy-2-methyl-5-(propan-2-yl)benzoic acid
Structure Info
- Chemspace ID
- CSSB00000730967 (In-Stock Building Blocks)
- CAS
- 584-44-1, 647017-64-9
- MFCD
- MFCD01735956
- IUPAC Name
- 4-hydroxy-2-methyl-5-(propan-2-yl)benzoic acid
- Mol formula
- C11H14O3
- Mol weight
- 194 Da
- Catalog Number(s)
- 584-44-1, A1069489, A274963, AAA58444, ACM584441, AG00EYNT, AG97905, AGN-PC-0JKA19, AKOS022519565, AR00EZCT, ArZ-UP207586, BB4LS-EN300-211354, BBLS00000730967, BBV-39920615, BD01008985, CSC000730967, EN300-211354, FCG2510649349, H950045, JH355130, ST00F04L, TX00EZTH, Y3260381, Z1262512082, ZX-NM180265, bbls00000730967
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 3.09
- Heavy atoms count
- 14
- Rotatable bond count
- 2
- Number of rings
- 1
- Carbon bond saturation, Fsp3
- 0.363
- Polar surface area (Å)
- 58
- Hydrogen bond acceptors count
- 3
- Hydrogen bond donors count
- 2
- Zoom the structure
- CSSB00000730967
Items Overall 33 items from 6 suppliers
| Supplier | Lead time | Ships from | Purity | Pack | Price, $ | Qty |
|---|---|---|---|---|---|---|
| BB4LS US | 2 days | United States To: | 95 | 50 umol | 155.02 | |
| BB4LS US | 2 days | United States To: | 95 | 100 umol | 206.27 | |
| BB4LS US | 2 days | United States To: | 95 | 200 umol | 288.54 | |
| BB4LS US | 2 days | United States To: | 95 | 300 umol | 349.00 | |
| BB4LS US | 2 days | United States To: | 95 | 500 umol | 467.00 | |
| Enamine Ltd. | 5 days | Ukraine To: | 95 | 50 mg | 315.00 | |
| Enamine Ltd. | 5 days | Ukraine To: | 95 | 100 mg | 470.00 | |
| Enamine Ltd. | 5 days | Ukraine To: | 95 | 250 mg | 672.00 | |
| Enamine Ltd. | 5 days | Ukraine To: | 95 | 500 mg | 1,058.00 | |
| Enamine Ltd. | 5 days | Ukraine To: | 95 | 1 g | 1,357.00 | |
| Enamine Ltd. | 5 days | Ukraine To: | 95 | 2.5 g | 2,660.00 | |
| Enamine US, Inc. | 5 days | United States To: | 95 | 50 mg | 315.00 | |
| Enamine US, Inc. | 5 days | United States To: | 95 | 100 mg | 470.00 | |
| Enamine US, Inc. | 5 days | United States To: | 95 | 250 mg | 672.00 | |
| Enamine US, Inc. | 5 days | United States To: | 95 | 500 mg | 1,058.00 | |
| Enamine US, Inc. | 5 days | United States To: | 95 | 1 g | 1,357.00 | |
| BB4LS EU | 7 days | Latvia To: | 95 | 50 umol | 155.02 | |
| BB4LS EU | 7 days | Latvia To: | 95 | 100 umol | 206.27 | |
| BB4LS EU | 7 days | Latvia To: | 95 | 200 umol | 288.54 | |
| BB4LS EU | 7 days | Latvia To: | 95 | 300 umol | 349.00 | |
| BB4LS EU | 7 days | Latvia To: | 95 | 500 umol | 467.00 | |
| 1st Scientific CN | 7 days | China To: | 95 | 50 mg | 418.00 | |
| 1st Scientific CN | 7 days | China To: | 95 | 100 mg | 597.30 | |
| 1st Scientific CN | 7 days | China To: | 95 | 250 mg | 831.60 | |
| 1st Scientific CN | 7 days | China To: | 95 | 500 mg | 1,278.20 | |
| 1st Scientific CN | 7 days | China To: | 95 | 1 g | 1,624.70 | |
| 1st Scientific CN | 7 days | China To: | 95 | 2.5 g | 3,132.80 | |
Description: 4-hydroxy-2-methyl-5-(propan-2-yl)benzoic acid; CAS: 584-44-1 | ||||||
| 1st Scientific LLC | 7 days | United States To: | 95 | 50 mg | 418.00 | |
| 1st Scientific LLC | 7 days | United States To: | 95 | 100 mg | 597.30 | |
| 1st Scientific LLC | 7 days | United States To: | 95 | 250 mg | 831.60 | |
| 1st Scientific LLC | 7 days | United States To: | 95 | 500 mg | 1,278.20 | |
| 1st Scientific LLC | 7 days | United States To: | 95 | 1 g | 1,624.70 | |
| 1st Scientific LLC | 7 days | United States To: | 95 | 2.5 g | 3,132.80 | |
Description: 4-hydroxy-2-methyl-5-(propan-2-yl)benzoic acid; CAS: 584-44-1 | ||||||
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Substructure Analogs
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![Chemical structure of 2,4-dihydroxy-3-[(1R,6R)-3-methyl-6-(prop-1-en-2-yl)cyclohex-2-en-1-yl]-6-propylbenzoic acid - CSSB00102520287](/st/structure/200/559974b2b56576e6d55bb6481371ec0d/CCCC1%253DCC%2528O%2529%253DC%2528%255BC%2540%2540H%255D2C%253DC%2528C%2529CC%255BC%2540H%255D2C%2528C%2529%253DC%2529C%2528O%2529%253DC1C%2528O%2529%253DO.png)
![Chemical structure of (6aR,10aR)-1-hydroxy-6,6,9-trimethyl-3-propyl-6H,6aH,7H,10H,10aH-benzo[c]isochromene-2-carboxylic acid - CSSB14863685448](/st/structure/200/d90962b2bfc6a98fdcfdd0a9410599f4/CCCc1cc2OC%2528C%2529%2528C%2529%255BC%2540%2540H%255D3CC%253DC%2528C%2529C%255BC%2540H%255D3c2c%2528O%2529c1C%2528O%2529%253DO.png)
Similarity Analogs
![Chemical structure of 1-[2,4-dihydroxy-5-(propan-2-yl)phenyl]ethan-1-one - CSSB00009861392](/st/structure/200/8a0313b8c1f6331b92913822a14ae606/CC%2528C%2529C1%253DCC%2528C%2528C%2529%253DO%2529%253DC%2528O%2529C%253DC1O.png)
