(4-Chloro-2-methoxyphenyl)-phenylmethanone

HCID 17820838

Notes Reactions

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Basic information

CAS: 78589-12-5
Standard SMILES: COc1cc(Cl)ccc1C(=O)c1ccccc1
InChIKey: BIKCMDMCEPKWJD-UHFFFAOYSA-N
Molecular formula: C14H11ClO2
Average molar mass: 246.69 g/mol
Monoisotopic mass: 246.04475727

Names & identifiers

Preferred name: (4-Chloro-2-methoxyphenyl)-phenylmethanone
IUPAC: (4-chloro-2-methoxyphenyl)-phenylmethanone

Names & synonyms

78589-12-5(4-Chloro-2-methoxyphenyl)phenylmethanone(4-Chloro-2-methoxyphenyl)-phenylmethanoneMethanone, (4-chloro-2-methoxyphenyl)phenyl-SCHEMBL1128828DTXSID50591115BIKCMDMCEPKWJD-UHFFFAOYSA-NMFCD16432585AKOS010909418DS-018518(4-Chloro-2-methoxyphenyl)(phenyl)methanone

Database identifiers

CAS: 78589-12-5
PubChem CID: 17820838
DTXSID: DTXSID50591115

Properties

Computed structural properties

XLogP: 3.9
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 17
Formal charge: 0
Complexity: 261

Related reactions

2 records

New reaction record

HRID 200718As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 449119As productuspto-grants-2013_07

Compound notes

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