Basic information
- CAS
135132-98-8- Standard SMILES
CCCCCCc1ccc(C(=O)Oc2ccc(CC)cc2)cc1- InChIKey
SEBBIRDMXFPQPD-UHFFFAOYSA-N- Molecular formula
- C21H26O2
- Average molar mass
- 310.4 g/mol
- Monoisotopic mass
- 310.19328007
Names & identifiers
- Preferred name
- 4-Ethylphenyl 4-hexylbenzoate
- IUPAC
- (4-ethylphenyl) 4-hexylbenzoate
Names & synonyms
4-ethylphenyl 4-hexylbenzoate6Bzo2PDTXSID101381553135132-98-8
Database identifiers
- CAS
135132-98-8- PubChem CID
- 175685865
- DTXSID
DTXSID101381553
Properties
Computed structural properties
- XLogP
- 7.1
- 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
- 323
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…