2-Methoxybenzyl Benzoate
Basic information
- CAS
64421-25-6- Standard SMILES
COc1ccccc1COC(=O)c1ccccc1- InChIKey
BZUHSQFJABFAHL-UHFFFAOYSA-N- Molecular formula
- C15H14O3
- Average molar mass
- 242.27 g/mol
- Monoisotopic mass
- 242.0942943
Overview
(2-methoxyphenyl)methyl benzoate has been reported in Desmos chinensis, Uvaria grandiflora, and other organisms with data available.
Names & identifiers
- Preferred name
- 2-Methoxybenzyl Benzoate
- IUPAC
- (2-methoxyphenyl)methyl benzoate
Names & synonyms
2-Methoxybenzyl benzoate(2-methoxyphenyl)methyl benzoateRefChem:910015o-Methoxybenzyl benzoateBenzenemethanol, 2-methoxy-, benzoate64421-25-6CHEMBL498647SCHEMBL6667180DTXSID50214675BDBM50479171AKOS017016428Q63392251
Database identifiers
- CAS
64421-25-6- PubChem CID
- 3085295
- DTXSID
DTXSID50214675- ChEMBL
CHEMBL498647- Nikkaji
- J391.011C
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 258
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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