Benzenebutanoic acid, 3-chloro-4-cyclohexyl-, butyl ester
Basic information
- CAS
32808-70-1- Standard SMILES
CCCCOC(=O)CCCc1ccc(C2CCCCC2)c(Cl)c1- InChIKey
IDMPRHBIZIRFRE-UHFFFAOYSA-N- Molecular formula
- C20H29ClO2
- Average molar mass
- 336.9 g/mol
- Monoisotopic mass
- 336.1856079
Names & identifiers
- Preferred name
- Benzenebutanoic acid, 3-chloro-4-cyclohexyl-, butyl ester
- IUPAC
- butyl 4-(3-chloro-4-cyclohexylphenyl)butanoate
Names & synonyms
32808-70-1Benzenebutanoic acid, 3-chloro-4-cyclohexyl-, butyl esterRefChem:1078373butyl 4-(3-chloro-4-cyclohexylphenyl)butanoateButyl 3-chloro-4-cyclohexylbenzenebutanoateCB 846BRN 21618203-Chloro-4-cyclohexylbenzenebutanoic acid butyl esterDTXSID10954469
Database identifiers
- CAS
32808-70-1- PubChem CID
- 208684
- DTXSID
DTXSID10954469
Properties
Computed structural properties
- XLogP
- 6.8
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 9
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 339
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Compound notes
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