Basic information
- CAS
15517-46-1- Standard SMILES
O=C(c1ccc(O)cc1)c1ccc(C(=O)c2ccc(O)cc2)cc1- InChIKey
ADUODNZKKNUWBZ-UHFFFAOYSA-N- Molecular formula
- C20H14O4
- Average molar mass
- 318.3 g/mol
- Monoisotopic mass
- 318.08920893
Overview
See also: 1,4-Phenylene bis((4-hydroxyphenyl)methanone) (annotation moved to).
Names & identifiers
- Preferred name
- [4-(4-Hydroxy-benzoyl)-phenyl]-(4-hydroxy-phenyl)-methanone
- IUPAC
- [4-(4-hydroxybenzoyl)phenyl]-(4-hydroxyphenyl)methanone
- English name
- 1,4-phenylenebis((4-hydroxyphenyl)Methanone)
- Molecular formula
- C20H14O4
- Molecular weight
- 318.32
Names & synonyms
15517-46-1[4-(4-Hydroxy-benzoyl)-phenyl]-(4-hydroxy-phenyl)-methanoneMLS000758486[4-(4-hydroxybenzoyl)phenyl]-(4-hydroxyphenyl)methanoneMLS000523326NSC 326757NSC-326757SMR0001233041,4-phenylenebis((4-hydroxyphenyl)methanone)1,4-bis(4-hydroxybenzoyl)benzene1,4-bis(4-hydroxybenzoyl)-benzeneNSC326757
Show more names
Methanone, 1,1'-(1,4-phenylene)bis[1-(4-hydroxyphenyl)-
Oprea1_508083Oprea1_534834SCHEMBL699850cid_331833CHEMBL1368535BDBM57056DTXSID60318158ADUODNZKKNUWBZ-UHFFFAOYSA-N
Database identifiers
- CAS
15517-46-1- PubChem CID
- 331833
- DTXSID
DTXSID60318158- ChEMBL
CHEMBL1368535- Nikkaji
- J807.286H
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 395
Physicochemical properties
- Melting point
- 318 · 318-319 °C
- Boiling point
- 577.6 · 577.6±45.0 °C(Predicted)
- Density
- 1.312 · 1.312±0.06 g/cm3(Predicted)
- pka
- 7.28 · 7.28±0.15(Predicted)
- form
- Solid:crystalline
- LogP
- 2.4 at · 2.4 at 35℃ and pH2-7
- REACH Registrations
- Inactive
Safety & regulation
Safety data
- REACH Registrations
- Inactive
Chemistry & industry
Preparation methods
PreparationObtained by Fries rearrangement of phenyl terephtha-–late (diester) with aluminium chloride at 185–195° for 25 min.
Suppliers5 total
上海昕凯医药科技有限公司21-619849051-1 18521059765 · [email protected]
河南威梯希化工科技有限公司0371-53370800 18037197114 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
吉林中科研伸科技有限公司043180534350 19917294565 · [email protected]
Related reactions
1 records
Compound notes
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