2-Butanone, 3-(3-hydroxyphenoxy)-
Basic information
- CAS
522643-98-7- Standard SMILES
CC(=O)C(C)Oc1cccc(O)c1- InChIKey
UJGCBIBFXMEXNM-UHFFFAOYSA-N- Molecular formula
- C10H12O3
- Average molar mass
- 180.2 g/mol
- Monoisotopic mass
- 180.07864424
Names & identifiers
- Preferred name
- 2-Butanone, 3-(3-hydroxyphenoxy)-
- IUPAC
- 3-(3-hydroxyphenoxy)butan-2-one
Names & synonyms
3-(3-hydroxyphenoxy)butan-2-one2-Butanone, 3-(3-hydroxyphenoxy)-522643-98-7DTXSID50463666
Database identifiers
- CAS
522643-98-7- PubChem CID
- 11367352
- DTXSID
DTXSID50463666- Nikkaji
- J2.169.187I
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 179
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Compound notes
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