Basic information
- Standard SMILES
COc1cc(CCC2CC2)cc(C(=O)O)c1- InChIKey
UAOOLXJMJFWHKI-UHFFFAOYSA-N- Molecular formula
- C13H16O3
- Average molar mass
- 220.26 g/mol
- Monoisotopic mass
- 220.10994437
Names & identifiers
- Preferred name
- 3-(2-Cyclopropylethyl)-5-methoxybenzoic acid
- IUPAC
- 3-(2-cyclopropylethyl)-5-methoxybenzoic acid
Names & synonyms
SCHEMBL14811147UAOOLXJMJFWHKI-UHFFFAOYSA-N3-(2-cyclopropylethyl)-5-methoxybenzoic acid
Database identifiers
- PubChem CID
- 89463753
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 248
Related reactions
1 records
Compound notes
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