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

C16H14BrClO — CID 113319354

IUPAC(4-bromo-2-methylphenyl)-(2-chloro-4,5-dimethylphenyl)methanone
SMILESCc1cc(Cl)c(C(=O)c2ccc(Br)cc2C)cc1C
InChIInChI=1S/C16H14BrClO/c1-9-7-14(15(18)8-10(9)2)16(19)13-5-4-12(17)6-11(13)3/h4-8H,1-3H3
InChIKeyGXBBNGMFLLXBKX-UHFFFAOYSA-N
MW337.64 g/mol
LogP5.26
Rot. Bonds2

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

(4-bromo-2-methylphenyl)-(2-chloro-4,5-dimethylphenyl)methanone (PubChem CID 113319354) has the molecular formula C16H14BrClO and a molecular weight of 337.64 g/mol. Its IUPAC name is (4-bromo-2-methylphenyl)-(2-chloro-4,5-dimethylphenyl)methanone.

Molecular Properties

Compound Name(4-bromo-2-methylphenyl)-(2-chloro-4,5-dimethylphenyl)methanone
PubChem CID113319354
Molecular FormulaC16H14BrClO
Molecular Weight337.64 g/mol
Exact Mass335.99
IUPAC Name(4-bromo-2-methylphenyl)-(2-chloro-4,5-dimethylphenyl)methanone
SMILESCc1cc(Cl)c(C(=O)c2ccc(Br)cc2C)cc1C
InChIInChI=1S/C16H14BrClO/c1-9-7-14(15(18)8-10(9)2)16(19)13-5-4-12(17)6-11(13)3/h4-8H,1-3H3
InChIKeyGXBBNGMFLLXBKX-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

(4-bromo-2-methylphenyl)-(2,5-dichlorophenyl)methanone
CID 43629690
(4-bromo-2-methylphenyl)-(2,4-dichlorophenyl)methanone
CID 63492688
(4-bromo-2-methoxyphenyl)-(4-chloro-2,5-dimethylphenyl)methanone
CID 115368800
(4-bromo-2-methylphenyl)-(2-methylphenyl)methanone
CID 11150419
(2-chloro-4-methylphenyl)-(2,4,5-trimethylphenyl)methanone
CID 106864991
(2-bromo-5-methylphenyl)-(2-chloro-4,5-dimethylphenyl)methanone
CID 113319368
(5-bromo-2-iodophenyl)-(4-chloro-2,5-dimethylphenyl)methanone
CID 114032826
(5-bromo-2-chlorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanone
CID 43626582
(4-bromo-2-chlorophenyl)-(2,5-dimethylphenyl)methanone
CID 43805047
(4-bromo-2-methylphenyl)-(2,3,4,5,6-pentamethylphenyl)methanone
CID 43629619
(4-bromo-2-chlorophenyl)-(2,5-dichlorophenyl)methanone
CID 43805120
(5-bromo-2-chlorophenyl)-(2,5-dimethylphenyl)methanone
CID 43378824

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-methylphenyl)-(2-chloro-4,5-dimethylphenyl)methanone?
The IUPAC name of (4-bromo-2-methylphenyl)-(2-chloro-4,5-dimethylphenyl)methanone (CID 113319354) is (4-bromo-2-methylphenyl)-(2-chloro-4,5-dimethylphenyl)methanone.
What is the SMILES notation for (4-bromo-2-methylphenyl)-(2-chloro-4,5-dimethylphenyl)methanone?
The canonical SMILES for (4-bromo-2-methylphenyl)-(2-chloro-4,5-dimethylphenyl)methanone is Cc1cc(Cl)c(C(=O)c2ccc(Br)cc2C)cc1C.
What is the InChIKey of (4-bromo-2-methylphenyl)-(2-chloro-4,5-dimethylphenyl)methanone?
The InChIKey is GXBBNGMFLLXBKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrClO/c1-9-7-14(15(18)8-10(9)2)16(19)13-5-4-12(17)6-11(13)3/h4-8H,1-3H3.
What are the key properties of (4-bromo-2-methylphenyl)-(2-chloro-4,5-dimethylphenyl)methanone?
(4-bromo-2-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 (4-bromo-2-methylphenyl)-(2-chloro-4,5-dimethylphenyl)methanone is sourced from PubChem (CID 113319354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).