2-Butanone, 4-hydroxy-4-(4-methoxyphenyl)-
Basic information
- CAS
94129-12-1- Standard SMILES
COc1ccc(C(O)CC(C)=O)cc1- InChIKey
PVMJHFHALZEAIH-UHFFFAOYSA-N- Molecular formula
- C11H14O3
- Average molar mass
- 194.23 g/mol
- Monoisotopic mass
- 194.0942943
Names & identifiers
- Preferred name
- 2-Butanone, 4-hydroxy-4-(4-methoxyphenyl)-
- IUPAC
- 4-hydroxy-4-(4-methoxyphenyl)butan-2-one
Names & synonyms
2-Butanone, 4-hydroxy-4-(4-methoxyphenyl)-94129-12-1DTXSID30469803RefChem:257846DTXCID804206214-hydroxy-4-(4-methoxyphenyl)butan-2-oneSCHEMBL27553231
Database identifiers
- CAS
94129-12-1- PubChem CID
- 11636986
- DTXSID
DTXSID30469803- Nikkaji
- J1.680.043K
Properties
Computed structural properties
- XLogP
- 0.7
- 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
- 183
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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