Basic information
- Standard SMILES
CCOC(=O)CC1=C(c2cccc(OC)c2)CCCC1- InChIKey
DJJBVIWQTHHDFQ-UHFFFAOYSA-N- Molecular formula
- C17H22O3
- Average molar mass
- 274.35 g/mol
- Monoisotopic mass
- 274.15689456
Names & identifiers
- Preferred name
- 1-(3-Methoxyphenyl)-2-(ethoxycarbonylmethyl)cyclohexene
- IUPAC
- ethyl 2-[2-(3-methoxyphenyl)cyclohexen-1-yl]acetate
Names & synonyms
SCHEMBL317911DJJBVIWQTHHDFQ-UHFFFAOYSA-N1-(3-methoxyphenyl)-2-(ethoxycarbonylmethyl)cyclohexene[2-(3-Methoxy-phenyl)-cyclohex-1-enyl]-acetic acid ethyl ester
Database identifiers
- PubChem CID
- 19358488
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 359
Related reactions
6 records
Compound notes
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