(2,5-Dimethoxyphenyl)(4-methoxyphenyl)methanone

HCID 257908

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Basic information

CAS: 80427-23-2
Standard SMILES: COc1ccc(C(=O)c2cc(OC)ccc2OC)cc1
InChIKey: SQOVCXYOBMSUHY-UHFFFAOYSA-N
Molecular formula: C16H16O4
Average molar mass: 272.29 g/mol
Monoisotopic mass: 272.10485899

Names & identifiers

Preferred name: (2,5-Dimethoxyphenyl)(4-methoxyphenyl)methanone
IUPAC: (2,5-dimethoxyphenyl)-(4-methoxyphenyl)methanone

Names & synonyms

(2,5-dimethoxyphenyl)(4-methoxyphenyl)methanone80427-23-2DTXSID10292939RefChem:205587DTXCID20244080NSC86525NCIOpen2_005079SCHEMBL6375687SQOVCXYOBMSUHY-UHFFFAOYSA-NNSC-86525(2,5-dimethoxyphenyl)(4 methoxyphenyl)methanone

Database identifiers

CAS: 80427-23-2
PubChem CID: 257908
DTXSID: DTXSID10292939

Properties

Computed structural properties

XLogP: 3.2
Topological polar surface area: 44.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 5
Heavy atoms: 20
Formal charge: 0
Complexity: 310

Related reactions

1 records

New reaction record

HRID 1816407As reactantuspto-grants-2005_04

Compound notes

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