3-Methoxyphenyl benzoate
Basic information
- CAS
5554-24-5- Standard SMILES
COc1cccc(OC(=O)c2ccccc2)c1- InChIKey
RJQSMMZRWQXFTQ-UHFFFAOYSA-N- Molecular formula
- C14H12O3
- Average molar mass
- 228.24 g/mol
- Monoisotopic mass
- 228.07864424
Names & identifiers
- Preferred name
- 3-Methoxyphenyl benzoate
- IUPAC
- (3-methoxyphenyl) benzoate
- English name
- 3-Methoxyphenylbenzoate
- Molecular formula
- C14H12O3
- Molecular weight
- 228.24
Names & synonyms
3-methoxyphenyl benzoate(3-methoxyphenyl) benzoate5554-24-53-METHOXYPHENYLBENZOATENSC136981SCHEMBL411502SCHEMBL13572258DTXSID50970880RJQSMMZRWQXFTQ-UHFFFAOYSA-NNSC-136981Phenol, 3-methoxy-, 1-benzoate
Database identifiers
- CAS
5554-24-5- PubChem CID
- 282883
- DTXSID
DTXSID50970880- Nikkaji
- J604.230I
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 246
Chemistry & industry
Upstream & downstream products
Downstream products
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Related reactions
2 records
Compound notes
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