Basic information
- Standard SMILES
COC(=O)c1ccc(Cc2cccc3ccc(C(=O)O)cc23)c(OC)c1- InChIKey
DNDVQSUFWPXQCY-UHFFFAOYSA-N- Molecular formula
- C21H18O5
- Average molar mass
- 350.4 g/mol
- Monoisotopic mass
- 350.11542367
Names & identifiers
- Preferred name
- Methyl 4-(7-carboxynaphth-1-ylmethyl)-3-methoxybenzoate
- IUPAC
- 8-[(2-methoxy-4-methoxycarbonylphenyl)methyl]naphthalene-2-carboxylic acid
Names & synonyms
SCHEMBL9634970DNDVQSUFWPXQCY-UHFFFAOYSA-Nmethyl 4-(7-carboxynaphth-1-ylmethyl)-3-methoxybenzoate
Database identifiers
- PubChem CID
- 19906397
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 72.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 505
Related reactions
4 records
Compound notes
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