1-(2,5-Dihydroxyphenyl)pentan-1-one
Basic information
- CAS
4693-17-8- Standard SMILES
CCCCC(=O)c1cc(O)ccc1O- InChIKey
WBBGCUWWOMNXLH-UHFFFAOYSA-N- Molecular formula
- C11H14O3
- Average molar mass
- 194.23 g/mol
- Monoisotopic mass
- 194.0942943
Names & identifiers
- Preferred name
- 1-(2,5-Dihydroxyphenyl)pentan-1-one
- IUPAC
- 1-(2,5-dihydroxyphenyl)pentan-1-one
Names & synonyms
1-(2,5-dihydroxyphenyl)pentan-1-one4693-17-8DTXSID10296972RefChem:222935DTXCID20248109NSC112925SCHEMBL21018531SCHEMBL313605141-(2,5-dihydroxyphenyl)-1-pentanoneAKOS024390406NSC-112925ST51045602
Database identifiers
- CAS
4693-17-8- PubChem CID
- 270488
- DTXSID
DTXSID10296972
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 191
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Compound notes
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