Basic information
- Standard SMILES
COC(=O)c1ccc(Cc2cccc3ccc(C=O)cc23)c(OC)c1- InChIKey
ZZRBJUYTDNIXGC-UHFFFAOYSA-N- Molecular formula
- C21H18O4
- Average molar mass
- 334.4 g/mol
- Monoisotopic mass
- 334.12050905
Names & identifiers
- Preferred name
- Methyl 4-[7-formylnaphth-1-ylmethyl]-3-methoxybenzoate
- IUPAC
- methyl 4-[(7-formylnaphthalen-1-yl)methyl]-3-methoxybenzoate
Names & synonyms
SCHEMBL9633776ZZRBJUYTDNIXGC-UHFFFAOYSA-Nmethyl 4-(7-formylnaphth-1-yl-methyl)-3-methoxybenzoatemethyl 4-(7-formylnaphth-1-ylmeth-yl)-3-methoxybenzoatemethyl 4-[7-formylnaphth-1-ylmethyl]-3-methoxybenzoate
Database identifiers
- PubChem CID
- 19906378
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 463
Related reactions
6 records
Compound notes
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