(2-bromo-5-methylphenyl)-(2-chloro-4,5-dimethylphenyl)methanone

C16H14BrClO — CID 113319368

IUPAC(2-bromo-5-methylphenyl)-(2-chloro-4,5-dimethylphenyl)methanone
SMILESCc1ccc(Br)c(C(=O)c2cc(C)c(C)cc2Cl)c1
InChIInChI=1S/C16H14BrClO/c1-9-4-5-14(17)12(6-9)16(19)13-7-10(2)11(3)8-15(13)18/h4-8H,1-3H3
InChIKeyRNAHGUICNBJWEC-UHFFFAOYSA-N
MW337.64 g/mol
LogP5.26
Rot. Bonds2

About (2-bromo-5-methylphenyl)-(2-chloro-4,5-dimethylphenyl)methanone

(2-bromo-5-methylphenyl)-(2-chloro-4,5-dimethylphenyl)methanone (PubChem CID 113319368) has the molecular formula C16H14BrClO and a molecular weight of 337.64 g/mol. Its IUPAC name is (2-bromo-5-methylphenyl)-(2-chloro-4,5-dimethylphenyl)methanone.

Molecular Properties

Compound Name(2-bromo-5-methylphenyl)-(2-chloro-4,5-dimethylphenyl)methanone
PubChem CID113319368
Molecular FormulaC16H14BrClO
Molecular Weight337.64 g/mol
Exact Mass335.99
IUPAC Name(2-bromo-5-methylphenyl)-(2-chloro-4,5-dimethylphenyl)methanone
SMILESCc1ccc(Br)c(C(=O)c2cc(C)c(C)cc2Cl)c1
InChIInChI=1S/C16H14BrClO/c1-9-4-5-14(17)12(6-9)16(19)13-7-10(2)11(3)8-15(13)18/h4-8H,1-3H3
InChIKeyRNAHGUICNBJWEC-UHFFFAOYSA-N
XLogP5.26
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.64
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2-bromo-5-methylphenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone
CID 81110078
(2-bromo-5-methylphenyl)-(2,5-dichlorophenyl)methanone
CID 81110557
(2-bromo-5-methylphenyl)-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methanone
CID 81109944
(4-bromo-2-methylphenyl)-(2-chloro-4,5-dimethylphenyl)methanone
CID 113319354
(4-bromo-3-chloro-2-fluorophenyl)-(2-bromo-5-methylphenyl)methanone
CID 106764260
(2-bromo-5-methylphenyl)-(2,4,6-trimethylphenyl)methanone
CID 81110554
(2-chloro-4-methylphenyl)-(2,4,5-trimethylphenyl)methanone
CID 106864991
(5-bromo-2-chlorophenyl)-(2,5-dimethylphenyl)methanone
CID 43378824
(4-bromo-2-chlorophenyl)-(2,5-dimethylphenyl)methanone
CID 43805047
(5-bromothiophen-2-yl)-(2-chloro-4,5-dimethylphenyl)methanone
CID 115483522
2-bromo-5-methylbenzoic acid;ethane
CID 142935649
(2-chloro-4,5-difluorophenyl)-(2-fluoro-5-methylphenyl)methanone
CID 107475658

Frequently Asked Questions

What is the IUPAC name of (2-bromo-5-methylphenyl)-(2-chloro-4,5-dimethylphenyl)methanone?
The IUPAC name of (2-bromo-5-methylphenyl)-(2-chloro-4,5-dimethylphenyl)methanone (CID 113319368) is (2-bromo-5-methylphenyl)-(2-chloro-4,5-dimethylphenyl)methanone.
What is the SMILES notation for (2-bromo-5-methylphenyl)-(2-chloro-4,5-dimethylphenyl)methanone?
The canonical SMILES for (2-bromo-5-methylphenyl)-(2-chloro-4,5-dimethylphenyl)methanone is Cc1ccc(Br)c(C(=O)c2cc(C)c(C)cc2Cl)c1.
What is the InChIKey of (2-bromo-5-methylphenyl)-(2-chloro-4,5-dimethylphenyl)methanone?
The InChIKey is RNAHGUICNBJWEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrClO/c1-9-4-5-14(17)12(6-9)16(19)13-7-10(2)11(3)8-15(13)18/h4-8H,1-3H3.
What are the key properties of (2-bromo-5-methylphenyl)-(2-chloro-4,5-dimethylphenyl)methanone?
(2-bromo-5-methylphenyl)-(2-chloro-4,5-dimethylphenyl)methanone has a molecular weight of 337.64 g/mol, XLogP of 5.26, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-5-methylphenyl)-(2-chloro-4,5-dimethylphenyl)methanone is sourced from PubChem (CID 113319368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).