Butyric acid, 4-(3-chloro-4-cyclohexylphenyl)-
Basic information
- CAS
32808-68-7- Standard SMILES
O=C(O)CCCc1ccc(C2CCCCC2)c(Cl)c1- InChIKey
MTHBSWCXTKUSKL-UHFFFAOYSA-N- Molecular formula
- C16H21ClO2
- Average molar mass
- 280.79 g/mol
- Monoisotopic mass
- 280.1230076
Names & identifiers
- Preferred name
- Butyric acid, 4-(3-chloro-4-cyclohexylphenyl)-
- IUPAC
- 4-(3-chloro-4-cyclohexylphenyl)butanoic acid
Names & synonyms
3-Chloro-4-cyclohexylbenzenebutanoic acid32808-68-7CB 791BUTYRIC ACID, 4-(3-CHLORO-4-CYCLOHEXYLPHENYL)-BRN 2139501Benzenebutanoic acid, 3-chloro-4-cyclohexyl-DTXSID90186483RefChem:331296DTXCID001089744-(3-chloro-4-cyclohexylphenyl)butanoic acid
Database identifiers
- CAS
32808-68-7- PubChem CID
- 36241
- DTXSID
DTXSID90186483
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 286
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Compound notes
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