5-Phenylfuran-3(2H)-one
Basic information
- CAS
5198-63-0- Standard SMILES
O=C1C=C(c2ccccc2)OC1- InChIKey
QKXNLWXUAQHOQZ-UHFFFAOYSA-N- Molecular formula
- C10H8O2
- Average molar mass
- 160.17 g/mol
- Monoisotopic mass
- 160.05242949
Names & identifiers
- Preferred name
- 5-Phenylfuran-3(2H)-one
- IUPAC
- 5-phenylfuran-3-one
- English name
- 5-phenylfuran-3(2H)-one
- Molecular formula
- C10H8O2
- Molecular weight
- 160.16932
Names & synonyms
5-Phenylfuran-3(2H)-one5198-63-0EINECS 225-987-75-phenyl-3(2H)-furanoneCHEMBL431633SCHEMBL6469196SCHEMBL27703349DTXSID80199941QKXNLWXUAQHOQZ-UHFFFAOYSA-N5-phenyl-2,3-dihydro-3-furanoneNS000323955-phenylfuran-3-one
Show more names
3(2H)-Furanone, 5-phenyl-
Database identifiers
- CAS
5198-63-0- PubChem CID
- 78874
- DTXSID
DTXSID80199941- ChEMBL
CHEMBL431633- EC Number
- 225-987-7
- Nikkaji
- J297.933K
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 212
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Compound notes
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