(2-bromo-4-chlorophenyl)-(3,4-dimethoxyphenyl)methanone

C15H12BrClO3 — CID 107987119

IUPAC(2-bromo-4-chlorophenyl)-(3,4-dimethoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2ccc(Cl)cc2Br)cc1OC
InChIInChI=1S/C15H12BrClO3/c1-19-13-6-3-9(7-14(13)20-2)15(18)11-5-4-10(17)8-12(11)16/h3-8H,1-2H3
InChIKeyIDUXQMWHAMAJSW-UHFFFAOYSA-N
MW355.62 g/mol
LogP4.35
Rot. Bonds4

About (2-bromo-4-chlorophenyl)-(3,4-dimethoxyphenyl)methanone

(2-bromo-4-chlorophenyl)-(3,4-dimethoxyphenyl)methanone (PubChem CID 107987119) has the molecular formula C15H12BrClO3 and a molecular weight of 355.62 g/mol. Its IUPAC name is (2-bromo-4-chlorophenyl)-(3,4-dimethoxyphenyl)methanone.

Molecular Properties

Compound Name(2-bromo-4-chlorophenyl)-(3,4-dimethoxyphenyl)methanone
PubChem CID107987119
Molecular FormulaC15H12BrClO3
Molecular Weight355.62 g/mol
Exact Mass353.97
IUPAC Name(2-bromo-4-chlorophenyl)-(3,4-dimethoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2ccc(Cl)cc2Br)cc1OC
InChIInChI=1S/C15H12BrClO3/c1-19-13-6-3-9(7-14(13)20-2)15(18)11-5-4-10(17)8-12(11)16/h3-8H,1-2H3
InChIKeyIDUXQMWHAMAJSW-UHFFFAOYSA-N
XLogP4.35
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.62
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5-chloro-2-fluorophenyl)-(3,4-dimethoxyphenyl)methanone
CID 43338818
(3-bromo-4-methoxyphenyl)-(5-chloro-2-methoxyphenyl)methanone
CID 43339859
(3-bromo-4-methoxyphenyl)-(4-chloro-2-fluorophenyl)methanone
CID 43339851
(4-chloro-3-methoxyphenyl)-(2,4-dibromophenyl)methanone
CID 107944607
(2-bromo-4-chlorophenyl)-(3-chloro-2,4-dimethoxyphenyl)methanone
CID 107987239
(2,5-dibromophenyl)-(3,4-dimethoxyphenyl)methanone
CID 114368506
(5-chloro-2-methoxyphenyl)-(4-fluoro-3-methoxyphenyl)methanone
CID 112694008
(3,4-dimethoxyphenyl)-(2,3,4-trifluorophenyl)methanone
CID 62963923
(2-bromo-3,4-dimethoxyphenyl)-(3,4-dimethoxyphenyl)methanone
CID 129012233
(3-bromo-4-fluorophenyl)-(2-chloro-4,5-dimethoxyphenyl)methanone
CID 107949762
(4-amino-3-bromophenyl)-(2-bromo-4-chlorophenyl)methanone
CID 107994532
(3-chloro-4-methoxyphenyl)-(5-chloro-2-methoxyphenyl)methanone
CID 43161713

Frequently Asked Questions

What is the IUPAC name of (2-bromo-4-chlorophenyl)-(3,4-dimethoxyphenyl)methanone?
The IUPAC name of (2-bromo-4-chlorophenyl)-(3,4-dimethoxyphenyl)methanone (CID 107987119) is (2-bromo-4-chlorophenyl)-(3,4-dimethoxyphenyl)methanone.
What is the SMILES notation for (2-bromo-4-chlorophenyl)-(3,4-dimethoxyphenyl)methanone?
The canonical SMILES for (2-bromo-4-chlorophenyl)-(3,4-dimethoxyphenyl)methanone is COc1ccc(C(=O)c2ccc(Cl)cc2Br)cc1OC.
What is the InChIKey of (2-bromo-4-chlorophenyl)-(3,4-dimethoxyphenyl)methanone?
The InChIKey is IDUXQMWHAMAJSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClO3/c1-19-13-6-3-9(7-14(13)20-2)15(18)11-5-4-10(17)8-12(11)16/h3-8H,1-2H3.
What are the key properties of (2-bromo-4-chlorophenyl)-(3,4-dimethoxyphenyl)methanone?
(2-bromo-4-chlorophenyl)-(3,4-dimethoxyphenyl)methanone has a molecular weight of 355.62 g/mol, XLogP of 4.35, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-4-chlorophenyl)-(3,4-dimethoxyphenyl)methanone is sourced from PubChem (CID 107987119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).