4-(1-Hydroxyethyl)-2-methoxyphenyl benzoate
Basic information
- CAS
6329-91-5- Standard SMILES
COc1cc(C(C)O)ccc1OC(=O)c1ccccc1- InChIKey
ZDEXBOZCBDVROZ-UHFFFAOYSA-N- Molecular formula
- C16H16O4
- Average molar mass
- 272.29 g/mol
- Monoisotopic mass
- 272.10485899
Names & identifiers
- Preferred name
- 4-(1-Hydroxyethyl)-2-methoxyphenyl benzoate
- IUPAC
- [4-(1-hydroxyethyl)-2-methoxyphenyl] benzoate
Names & synonyms
4-(1-hydroxyethyl)-2-methoxyphenyl benzoate6329-91-5NSC4710071281-96-4DTXSID00991585DTXSID40286725NSC-47100
Database identifiers
- CAS
6329-91-5、71281-96-4- PubChem CID
- 240669
- DTXSID
DTXSID00991585
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 312
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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