Basic information
- CAS
2050-37-5- Standard SMILES
O=C(c1ccccc1)c1cc(O)ccc1O- InChIKey
PTBZRYBRVBHLCU-UHFFFAOYSA-N- Molecular formula
- C13H10O3
- Average molar mass
- 214.22 g/mol
- Monoisotopic mass
- 214.06299418
Names & identifiers
- Preferred name
- 2,5-Dihydroxybenzophenone
- IUPAC
- (2,5-dihydroxyphenyl)-phenylmethanone
- English name
- 2,5-Dihydroxybenzophenone
- Molecular formula
- C13H10O3
- Molecular weight
- 214.22
Names & synonyms
2,5-Dihydroxybenzophenone2050-37-5(2,5-Dihydroxyphenyl)phenylmethanoneDTXSID50324925Methanone, (2,5-dihydroxyphenyl)phenyl-RefChem:247478DTXCID60276042PTBZRYBRVBHLCU-UHFFFAOYSA-N(2,5-dihydroxyphenyl)(phenyl)methanoneNSC407991mono benzoyl hydroquinoneSCHEMBL2868140
Show more names
SCHEMBL294575662,5-dihydroxyphenyl phenyl ketoneAKOS022651279NSC-407991ST50564859
Database identifiers
- CAS
2050-37-5- PubChem CID
- 348602
- DTXSID
DTXSID50324925- Nikkaji
- J80.377D
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 246
Physicochemical properties
- Melting point
- 125 · 125–126°C
Chemistry & industry
Preparation methods
PreparationPreparation by Fries rearrangement of hydroquinone dibenzoate with aluminium chloride, at 140° for 1 h (33%); at 190–200° for 1 h 30 min (50%) or at 200° for 20 min.
Suppliers2 total
虞城县药扬技术服务部17739007752 17324281842 · [email protected]
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
2 records
Compound notes
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