4-(Hydroxymethyl)phenyl 2-methylpropanoate
Basic information
- CAS
70362-64-0- Standard SMILES
CC(C)C(=O)Oc1ccc(CO)cc1- InChIKey
RWFXLBNAVZAHHO-UHFFFAOYSA-N- Molecular formula
- C11H14O3
- Average molar mass
- 194.23 g/mol
- Monoisotopic mass
- 194.0942943
Names & identifiers
- Preferred name
- 4-(Hydroxymethyl)phenyl 2-methylpropanoate
- IUPAC
- [4-(hydroxymethyl)phenyl] 2-methylpropanoate
- English name
- 4-(Hydroxymethyl)phenyl isobutyrate
- Molecular formula
- C11H14O3
- Molecular weight
- 194.23
Names & synonyms
4-(Hydroxymethyl)phenyl 2-methylpropanoate70362-64-0[4-(hydroxymethyl)phenyl] 2-methylpropanoateSCHEMBL11295876SCHEMBL19925263DTXSID70695346AKOS0063169144-(Hydroxymethyl)phenyl isobutyratePropanoic acid, 2-methyl-, 4-(hydroxymethyl)phenyl ester
Database identifiers
- CAS
70362-64-0- PubChem CID
- 53404238
- DTXSID
DTXSID70695346
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 181
Chemistry & industry
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