(3-bromo-4-methylphenyl)-(3-chloro-4-methoxyphenyl)methanone

C15H12BrClO2 — CID 81471530

IUPAC(3-bromo-4-methylphenyl)-(3-chloro-4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2ccc(C)c(Br)c2)cc1Cl
InChIInChI=1S/C15H12BrClO2/c1-9-3-4-10(7-12(9)16)15(18)11-5-6-14(19-2)13(17)8-11/h3-8H,1-2H3
InChIKeyZNLWLFYMFYUNCS-UHFFFAOYSA-N
MW339.62 g/mol
LogP4.65
Rot. Bonds3

About (3-bromo-4-methylphenyl)-(3-chloro-4-methoxyphenyl)methanone

(3-bromo-4-methylphenyl)-(3-chloro-4-methoxyphenyl)methanone (PubChem CID 81471530) has the molecular formula C15H12BrClO2 and a molecular weight of 339.62 g/mol. Its IUPAC name is (3-bromo-4-methylphenyl)-(3-chloro-4-methoxyphenyl)methanone.

Molecular Properties

Compound Name(3-bromo-4-methylphenyl)-(3-chloro-4-methoxyphenyl)methanone
PubChem CID81471530
Molecular FormulaC15H12BrClO2
Molecular Weight339.62 g/mol
Exact Mass337.97
IUPAC Name(3-bromo-4-methylphenyl)-(3-chloro-4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2ccc(C)c(Br)c2)cc1Cl
InChIInChI=1S/C15H12BrClO2/c1-9-3-4-10(7-12(9)16)15(18)11-5-6-14(19-2)13(17)8-11/h3-8H,1-2H3
InChIKeyZNLWLFYMFYUNCS-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

(3-bromo-4-methylphenyl)-(3-chloro-4-methylphenyl)methanone
CID 103693752
(3-chloro-4-methoxyphenyl)-(5-fluoro-2-methylphenyl)methanone
CID 63048757
(3-chloro-4-methoxyphenyl)-(2,3-dimethylphenyl)methanone
CID 43339771
(3,5-dibromo-4-methylphenyl)-(3,4-dimethoxyphenyl)methanone
CID 170985664
(4-bromo-2-chlorophenyl)-(4-methoxy-3-methylphenyl)methanone
CID 43805125
(3-bromo-4-methoxyphenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone
CID 81045034
3-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)-4-methylbenzamide
CID 81456873
(3-bromo-4-methylphenyl)-(2,5-dichlorophenyl)methanone
CID 81472655
(4-bromo-3-chlorophenyl)-(2,6-dimethoxyphenyl)methanone
CID 115813439
(3-chloro-4-methoxyphenyl)-(5-chloro-2-methoxyphenyl)methanone
CID 43161713
(3-bromo-4-chlorophenyl)-(2,5-dichloro-4-methoxyphenyl)methanone
CID 107998395
(3-bromo-4-fluorophenyl)-(4-chloro-3-methoxyphenyl)methanone
CID 82809769

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-methylphenyl)-(3-chloro-4-methoxyphenyl)methanone?
The IUPAC name of (3-bromo-4-methylphenyl)-(3-chloro-4-methoxyphenyl)methanone (CID 81471530) is (3-bromo-4-methylphenyl)-(3-chloro-4-methoxyphenyl)methanone.
What is the SMILES notation for (3-bromo-4-methylphenyl)-(3-chloro-4-methoxyphenyl)methanone?
The canonical SMILES for (3-bromo-4-methylphenyl)-(3-chloro-4-methoxyphenyl)methanone is COc1ccc(C(=O)c2ccc(C)c(Br)c2)cc1Cl.
What is the InChIKey of (3-bromo-4-methylphenyl)-(3-chloro-4-methoxyphenyl)methanone?
The InChIKey is ZNLWLFYMFYUNCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClO2/c1-9-3-4-10(7-12(9)16)15(18)11-5-6-14(19-2)13(17)8-11/h3-8H,1-2H3.
What are the key properties of (3-bromo-4-methylphenyl)-(3-chloro-4-methoxyphenyl)methanone?
(3-bromo-4-methylphenyl)-(3-chloro-4-methoxyphenyl)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 (3-bromo-4-methylphenyl)-(3-chloro-4-methoxyphenyl)methanone is sourced from PubChem (CID 81471530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).