Basic information
- Standard SMILES
CCCCCCCCOc1ccc(C(=O)Oc2ccc(C3CCC(O)CC3)cc2)cc1- InChIKey
NRXWMPCBRRQIDZ-UHFFFAOYSA-N- Molecular formula
- C27H36O4
- Average molar mass
- 424.6 g/mol
Names & identifiers
- Preferred name
- 4-Octyloxy-benzoic acid 4-(4-hydroxy-cyclohexyl)-phenyl ester
- IUPAC
- [4-(4-hydroxycyclohexyl)phenyl] 4-octoxybenzoate
Names & synonyms
SCHEMBL5090798NRXWMPCBRRQIDZ-UHFFFAOYSA-N4-Octyloxy-benzoic acid 4-(4-hydroxy-cyclohexyl)-phenyl ester
Database identifiers
- PubChem CID
- 69307345
- Nikkaji
- J2.110.421C
Properties
Computed structural properties
- XLogP
- 7.4
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 12
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 483
Related reactions
1 records
Compound notes
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