Benzophenone, 2-hydroxy-4'-methoxy-

HCID 87768

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Basic information

CAS: 18733-07-8
Standard SMILES: COc1ccc(C(=O)c2ccccc2O)cc1
InChIKey: MPOIUZCYWIPYNC-UHFFFAOYSA-N
Molecular formula: C14H12O3
Average molar mass: 228.24 g/mol
Monoisotopic mass: 228.07864424

Names & identifiers

Preferred name: Benzophenone, 2-hydroxy-4'-methoxy-
IUPAC: (2-hydroxyphenyl)-(4-methoxyphenyl)methanone
English name: (2-hydroxyphenyl)-(4-methoxyphenyl)methanone
Molecular formula: C14H12O3
Molecular weight: 228.24

Names & synonyms

18733-07-8Benzophenone, 2-hydroxy-4'-methoxy-2-hydroxy-4'-methoxybenzophenoneDTXSID30172042RefChem:328125DTXCID9094533(2-Hydroxyphenyl)(4-methoxyphenyl)methanone(2-hydroxyphenyl)-(4-methoxyphenyl)methanoneMethanone, (2-hydroxyphenyl)(4-methoxyphenyl)-SCHEMBL231448SCHEMBL11633624SCHEMBL29722657

Show more names

2-hydroxy-4'-methoxy-benzophenoneDA-32107(2-Hydroxyphenyl)(4-methoxyphenyl)methanone #

Database identifiers

CAS: 18733-07-8
PubChem CID: 87768
DTXSID: DTXSID30172042
Nikkaji: J109.982E

Properties

Computed structural properties

XLogP: 3.5
Topological polar surface area: 46.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 17
Formal charge: 0
Complexity: 256

Safety & regulation

Hazard information

Regulatory InformationChemical: Methanone, (2-hydroxyphenyl)(4-methoxyphenyl)-

Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia

Regulatory information

Regulatory InformationChemical: Methanone, (2-hydroxyphenyl)(4-methoxyphenyl)-

Chemistry & industry

Preparation methods

PreparationPreparation from 2-iodophenyl p-anisate on treatment with n-butyllithium in a mixture of ethyl ether, hexane and tetrahydrofuran at 70° for 2 h, followed by treatment with saturated aqueous ammonium chloride (