(4-bromo-3-methylphenyl)-(4-chloro-2,5-dimethylphenyl)methanone

C16H14BrClO — CID 113396681

IUPAC(4-bromo-3-methylphenyl)-(4-chloro-2,5-dimethylphenyl)methanone
SMILESCc1cc(C(=O)c2ccc(Br)c(C)c2)c(C)cc1Cl
InChIInChI=1S/C16H14BrClO/c1-9-8-15(18)11(3)7-13(9)16(19)12-4-5-14(17)10(2)6-12/h4-8H,1-3H3
InChIKeyOGQHCJYXPLBONS-UHFFFAOYSA-N
MW337.64 g/mol
LogP5.26
Rot. Bonds2

About (4-bromo-3-methylphenyl)-(4-chloro-2,5-dimethylphenyl)methanone

(4-bromo-3-methylphenyl)-(4-chloro-2,5-dimethylphenyl)methanone (PubChem CID 113396681) has the molecular formula C16H14BrClO and a molecular weight of 337.64 g/mol. Its IUPAC name is (4-bromo-3-methylphenyl)-(4-chloro-2,5-dimethylphenyl)methanone.

Molecular Properties

Compound Name(4-bromo-3-methylphenyl)-(4-chloro-2,5-dimethylphenyl)methanone
PubChem CID113396681
Molecular FormulaC16H14BrClO
Molecular Weight337.64 g/mol
Exact Mass335.99
IUPAC Name(4-bromo-3-methylphenyl)-(4-chloro-2,5-dimethylphenyl)methanone
SMILESCc1cc(C(=O)c2ccc(Br)c(C)c2)c(C)cc1Cl
InChIInChI=1S/C16H14BrClO/c1-9-8-15(18)11(3)7-13(9)16(19)12-4-5-14(17)10(2)6-12/h4-8H,1-3H3
InChIKeyOGQHCJYXPLBONS-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

Analyze (4-bromo-3-methylphenyl)-(4-chloro-2,5-dimethylphenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-amino-3-chlorophenyl)-(4-chloro-2,5-dimethylphenyl)methanone
CID 82787494
(4-bromo-3-methylphenyl)-(2,4-dimethylphenyl)methanone
CID 113396668
(2-aminophenyl)-(4-bromo-3-methylphenyl)methanone
CID 82073342
2-(4-bromo-3-methylbenzoyl)benzoic acid
CID 123816011
(2-bromo-5-chloro-4-methylphenyl)-(4-methylphenyl)methanone
CID 134514338
(5-bromo-2-iodophenyl)-(4-chloro-2,5-dimethylphenyl)methanone
CID 114032826
(2-bromophenyl)-(3-chloro-4-methylphenyl)methanone
CID 24723106
(4-bromo-3-methylphenyl)-(2-methylthiophen-3-yl)methanone
CID 102840024
(4-chloro-2,5-dimethylphenyl)-(5-methylfuran-3-yl)methanone
CID 114819640
(3-bromo-4-methylphenyl)-(3-chloro-4-methylphenyl)methanone
CID 103693752
[4-(4-chloro-3-methylbenzoyl)phenyl]-(4-chloro-3-methylphenyl)methanone
CID 5143805
(4-bromo-2,5-dimethoxyphenyl)-(4-chloro-3-methylphenyl)methanone
CID 105056463

Frequently Asked Questions

What is the IUPAC name of (4-bromo-3-methylphenyl)-(4-chloro-2,5-dimethylphenyl)methanone?
The IUPAC name of (4-bromo-3-methylphenyl)-(4-chloro-2,5-dimethylphenyl)methanone (CID 113396681) is (4-bromo-3-methylphenyl)-(4-chloro-2,5-dimethylphenyl)methanone.
What is the SMILES notation for (4-bromo-3-methylphenyl)-(4-chloro-2,5-dimethylphenyl)methanone?
The canonical SMILES for (4-bromo-3-methylphenyl)-(4-chloro-2,5-dimethylphenyl)methanone is Cc1cc(C(=O)c2ccc(Br)c(C)c2)c(C)cc1Cl.
What is the InChIKey of (4-bromo-3-methylphenyl)-(4-chloro-2,5-dimethylphenyl)methanone?
The InChIKey is OGQHCJYXPLBONS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrClO/c1-9-8-15(18)11(3)7-13(9)16(19)12-4-5-14(17)10(2)6-12/h4-8H,1-3H3.
What are the key properties of (4-bromo-3-methylphenyl)-(4-chloro-2,5-dimethylphenyl)methanone?
(4-bromo-3-methylphenyl)-(4-chloro-2,5-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-3-methylphenyl)-(4-chloro-2,5-dimethylphenyl)methanone is sourced from PubChem (CID 113396681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).