Basic information
- Standard SMILES
Cc1cc(C(=O)c2ccc(O)cc2)c(C)o1- InChIKey
SSAQWXVJZDVART-UHFFFAOYSA-N- Molecular formula
- C13H12O3
- Average molar mass
- 216.23 g/mol
- Monoisotopic mass
- 216.07864424
Names & identifiers
- Preferred name
- (2,5-Dimethyl-3-furanyl)(4-hydroxyphenyl)methanone
- IUPAC
- (2,5-dimethylfuran-3-yl)-(4-hydroxyphenyl)methanone
- English name
- p-hydroxyphenyl 2,5-dimethyl-3-furyl ketone
- Molecular formula
- C13H12O3
- Molecular weight
- 216.23
Names & synonyms
4568-81-4KETONE, 2,5-DIMETHYL-3-FURYL p-HYDROXYPHENYLDTXSID40196592RefChem:1049628DTXCID80119083(2,5-Dimethyl-3-furanyl)(4-hydroxyphenyl)methanone224-949-7p-Hydroxyphenyl 2,5-dimethyl-3-furyl ketoneEINECS 224-949-7DB 1352,5-Dimethyl-3-furyl p-hydroxyphenyl ketoneDimethyl-2,5 (hydroxy 4 benzoyl) 3 furanne [French]
Show more names
DB-135Methanone, (2,5-dimethyl-3-furanyl)(4-hydroxyphenyl)-
Dimethyl-2,5 (hydroxy 4 benzoyl) 3 furanneSCHEMBL29398590SSAQWXVJZDVART-UHFFFAOYSA-NNS00031553(2,5-Dimethylfuran-3-yl)(4-hydroxyphenyl)methanone
Database identifiers
- CAS
4568-81-4- PubChem CID
- 20702
- DTXSID
DTXSID40196592- EC Number
- 224-949-7
- Nikkaji
- J71.218C
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 50.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 256
Physicochemical properties
- Melting point
- 145 °C · 145 °C
- Boiling point
- 316.65 °C · 316.65°C (rough estimate)
- Density
- 1.1652 · 1.1652 (rough estimate)
- refractive index
- 1.509 · 1.5090 (estimate)
- pka
- 7.68 · 7.68±0.15(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Linked notes
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