(4-bromo-2-chlorophenyl)-(4-methoxy-3-methylphenyl)methanone

C15H12BrClO2 — CID 43805125

IUPAC(4-bromo-2-chlorophenyl)-(4-methoxy-3-methylphenyl)methanone
SMILESCOc1ccc(C(=O)c2ccc(Br)cc2Cl)cc1C
InChIInChI=1S/C15H12BrClO2/c1-9-7-10(3-6-14(9)19-2)15(18)12-5-4-11(16)8-13(12)17/h3-8H,1-2H3
InChIKeyJSLKYWOXIKKMCS-UHFFFAOYSA-N
MW339.62 g/mol
LogP4.65
Rot. Bonds3

About (4-bromo-2-chlorophenyl)-(4-methoxy-3-methylphenyl)methanone

(4-bromo-2-chlorophenyl)-(4-methoxy-3-methylphenyl)methanone (PubChem CID 43805125) has the molecular formula C15H12BrClO2 and a molecular weight of 339.62 g/mol. Its IUPAC name is (4-bromo-2-chlorophenyl)-(4-methoxy-3-methylphenyl)methanone.

Molecular Properties

Compound Name(4-bromo-2-chlorophenyl)-(4-methoxy-3-methylphenyl)methanone
PubChem CID43805125
Molecular FormulaC15H12BrClO2
Molecular Weight339.62 g/mol
Exact Mass337.97
IUPAC Name(4-bromo-2-chlorophenyl)-(4-methoxy-3-methylphenyl)methanone
SMILESCOc1ccc(C(=O)c2ccc(Br)cc2Cl)cc1C
InChIInChI=1S/C15H12BrClO2/c1-9-7-10(3-6-14(9)19-2)15(18)12-5-4-11(16)8-13(12)17/h3-8H,1-2H3
InChIKeyJSLKYWOXIKKMCS-UHFFFAOYSA-N
XLogP4.65
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.62
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-bromo-2-chlorophenyl)-(3-fluoro-4-methoxyphenyl)methanone
CID 43805127
methyl 3-(4-bromo-2-chlorobenzoyl)-4-methoxybenzoate
CID 67314174
(3-bromo-5-chlorophenyl)-(4-methoxy-3-methylphenyl)methanone
CID 107949805
(4-chloro-3-methoxyphenyl)-(2,4-dibromophenyl)methanone
CID 107944607
(4-bromo-2-chlorophenyl)-(2-bromo-4,5-dimethoxyphenyl)methanone
CID 43805084
(2-bromophenyl)-(4-methoxy-3-methylphenyl)methanone
CID 43379600
(4-bromo-2-chlorophenyl)-(5-iodo-2-methoxyphenyl)methanone
CID 43805097
(3-amino-5-bromo-2-methylphenyl)-(4-methoxy-3-methylphenyl)methanone
CID 107874154
(3-bromo-4-methoxyphenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone
CID 81045034
(4-bromo-2-methoxyphenyl)-(4-chloro-2,5-dimethylphenyl)methanone
CID 115368800
(5-bromo-2-chlorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanone
CID 43626582
(3-bromo-4-methylphenyl)-(3-chloro-4-methoxyphenyl)methanone
CID 81471530

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-chlorophenyl)-(4-methoxy-3-methylphenyl)methanone?
The IUPAC name of (4-bromo-2-chlorophenyl)-(4-methoxy-3-methylphenyl)methanone (CID 43805125) is (4-bromo-2-chlorophenyl)-(4-methoxy-3-methylphenyl)methanone.
What is the SMILES notation for (4-bromo-2-chlorophenyl)-(4-methoxy-3-methylphenyl)methanone?
The canonical SMILES for (4-bromo-2-chlorophenyl)-(4-methoxy-3-methylphenyl)methanone is COc1ccc(C(=O)c2ccc(Br)cc2Cl)cc1C.
What is the InChIKey of (4-bromo-2-chlorophenyl)-(4-methoxy-3-methylphenyl)methanone?
The InChIKey is JSLKYWOXIKKMCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClO2/c1-9-7-10(3-6-14(9)19-2)15(18)12-5-4-11(16)8-13(12)17/h3-8H,1-2H3.
What are the key properties of (4-bromo-2-chlorophenyl)-(4-methoxy-3-methylphenyl)methanone?
(4-bromo-2-chlorophenyl)-(4-methoxy-3-methylphenyl)methanone has a molecular weight of 339.62 g/mol, XLogP of 4.65, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-chlorophenyl)-(4-methoxy-3-methylphenyl)methanone is sourced from PubChem (CID 43805125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).