Basic information
- Standard SMILES
COC(=O)c1ccc(O)c(C2=CCCC2(C)C)c1- InChIKey
NPQHHBNPQZWFRS-UHFFFAOYSA-N- Molecular formula
- C15H18O3
- Average molar mass
- 246.3 g/mol
- Monoisotopic mass
- 246.12559443
Names & identifiers
- Preferred name
- Methyl 3-(5,5-dimethylcyclopent-1-enyl)-4-hydroxybenzoate
- IUPAC
- methyl 3-(5,5-dimethylcyclopenten-1-yl)-4-hydroxybenzoate
Names & synonyms
Methyl 3-(5,5-dimethylcyclopent-1-enyl)-4-hydroxybenzoate1142224-43-8SCHEMBL1585082NPQHHBNPQZWFRS-UHFFFAOYSA-NDB-308267
Database identifiers
- PubChem CID
- 53376485
- Nikkaji
- J2.965.383F
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 357
Related reactions
5 records
Compound notes
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