Basic information
- CAS
71840-30-7- Standard SMILES
Cc1ccc(O)c(Cc2cc(C)ccc2OC(=O)c2ccccc2)c1- InChIKey
YLFQFCDSIXPERU-UHFFFAOYSA-N- Molecular formula
- C22H20O3
- Average molar mass
- 332.4 g/mol
- Monoisotopic mass
- 332.1412445
Names & identifiers
- Preferred name
- 2-(2-Hydroxy-5-methylbenzyl)-4-methylphenyl benzoate
- IUPAC
- [2-[(2-hydroxy-5-methylphenyl)methyl]-4-methylphenyl] benzoate
- English name
- Benzoic acid 2-[(2-hydroxy-5-methylphenyl)methyl]-4-methylphenyl ester
- Molecular formula
- C22H20O3
- Molecular weight
- 332.39
Names & synonyms
2-(2-Hydroxy-5-methylbenzyl)-4-methylphenyl benzoateDTXSID8034110571840-30-7RefChem:250721DTXCID60292186YLFQFCDSIXPERU-UHFFFAOYSA-N2-[(2-hydroxy-5-methylphenyl)methyl]-4-methylphenyl benzoatePhenol, 2-[[2-(benzoyloxy)-5-methylphenyl]methyl]-4-methyl-2-(2-Hydroxy-5-methylbenzyl)-4-methylphenyl benzoate #2-[(2-Benzoyloxy-5-methylphenyl)methyl]-4-methylphenolPhenol, 2-[[2-(benzoyloxy)-5-methylphenyl]methyl]-4-methyl- (9CI)Benzoic acid 2-[(2-hydroxy-5-methylphenyl)methyl]-4-methylphenyl ester
Database identifiers
- CAS
71840-30-7- PubChem CID
- 570141
- DTXSID
DTXSID80341105- Nikkaji
- J131.878K
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 429
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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