Basic information
- CAS
70275-61-5- Standard SMILES
O=C(OCCCc1ccccc1)C1CCCCC1- InChIKey
HNNOWLIDJUXQBP-UHFFFAOYSA-N- Molecular formula
- C16H22O2
- Average molar mass
- 246.34 g/mol
- Monoisotopic mass
- 246.16197994
Names & identifiers
- Preferred name
- 3-Phenylpropyl cyclohexanecarboxylate
- IUPAC
- 3-phenylpropyl cyclohexanecarboxylate
Names & synonyms
3-Phenylpropyl cyclohexanecarboxylate70275-61-5DTXSID10341875RefChem:281850DTXCID70292955cyclohexanecarboxylic acid 3-phenyl-propyl esterCyclohexanecarboxylic acid, 3-phenylpropyl esterHNNOWLIDJUXQBP-UHFFFAOYSA-NAKOS0159069103-Phenylpropyl cyclohexanecarboxylate #
Database identifiers
- CAS
70275-61-5- PubChem CID
- 576409
- DTXSID
DTXSID10341875- Nikkaji
- J1.685.417D
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 237
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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