Benzenepropanoic acid, 3-chloro-4-cyclohexyl-beta-hydroxy-beta-methyl-
Basic information
- CAS
24645-14-5- Standard SMILES
CC(O)(CC(=O)O)c1ccc(C2CCCCC2)c(Cl)c1- InChIKey
AINTUTMSFVISLY-UHFFFAOYSA-N- Molecular formula
- C16H21ClO3
- Average molar mass
- 296.79 g/mol
- Monoisotopic mass
- 296.1179222
Names & identifiers
- Preferred name
- Benzenepropanoic acid, 3-chloro-4-cyclohexyl-beta-hydroxy-beta-methyl-
- IUPAC
- 3-(3-chloro-4-cyclohexylphenyl)-3-hydroxybutanoic acid
Names & synonyms
24645-14-5Benzenepropanoic acid, 3-chloro-4-cyclohexyl-beta-hydroxy-beta-methyl-RefChem:1078602BRN 21345583-(3-chloro-4-cyclohexylphenyl)-3-hydroxybutanoic acidHydrocinnamic acid, 3-chloro-4-cyclohexyl-beta-hydroxy-beta-methyl-DTXSID60947588
Database identifiers
- CAS
24645-14-5- PubChem CID
- 64859
- DTXSID
DTXSID60947588
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 341
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Compound notes
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