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

C15H12BrClO — CID 134514338

IUPAC(2-bromo-5-chloro-4-methylphenyl)-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2cc(Cl)c(C)cc2Br)cc1
InChIInChI=1S/C15H12BrClO/c1-9-3-5-11(6-4-9)15(18)12-8-14(17)10(2)7-13(12)16/h3-8H,1-2H3
InChIKeyFVVQAMXSXHLVEF-UHFFFAOYSA-N
MW323.62 g/mol
LogP4.95
Rot. Bonds2

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

(2-bromo-5-chloro-4-methylphenyl)-(4-methylphenyl)methanone (PubChem CID 134514338) has the molecular formula C15H12BrClO and a molecular weight of 323.62 g/mol. Its IUPAC name is (2-bromo-5-chloro-4-methylphenyl)-(4-methylphenyl)methanone.

Molecular Properties

Compound Name(2-bromo-5-chloro-4-methylphenyl)-(4-methylphenyl)methanone
PubChem CID134514338
Molecular FormulaC15H12BrClO
Molecular Weight323.62 g/mol
Exact Mass321.98
IUPAC Name(2-bromo-5-chloro-4-methylphenyl)-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2cc(Cl)c(C)cc2Br)cc1
InChIInChI=1S/C15H12BrClO/c1-9-3-5-11(6-4-9)15(18)12-8-14(17)10(2)7-13(12)16/h3-8H,1-2H3
InChIKeyFVVQAMXSXHLVEF-UHFFFAOYSA-N
XLogP4.95
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.62
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[2,5-dichloro-4-(4-methylbenzoyl)phenyl]-(4-methylphenyl)methanone
CID 3101530
(4-bromo-3-methylphenyl)-(4-chloro-2,5-dimethylphenyl)methanone
CID 113396681
(2-bromophenyl)-(3-chloro-4-methylphenyl)methanone
CID 24723106
1-(2-bromo-5-chloro-4-methylphenyl)-3-methylbut-2-en-1-one
CID 130551291
(4-aminophenyl)-(2-bromo-5-methylphenyl)methanone
CID 81117835
N-(2-bromo-5-chloro-4-methylphenyl)-2,4-dimethylbenzamide
CID 104724000
(2-bromo-4-methoxyphenyl)-(3-chloro-4-methylphenyl)methanone
CID 63492340
4-bromo-5-chloro-2-methylbenzoyl chloride
CID 171032784
(3-bromo-4-methylphenyl)-(3-chloro-4-methylphenyl)methanone
CID 103693752
(5-bromo-4-chlorothiophen-2-yl)-(4-methylphenyl)methanone
CID 80531734
(3-bromo-5-chlorophenyl)-(2,5-dibromo-4-methylphenyl)methanone
CID 114019744
(2-bromo-5-methylphenyl)-(2-chloro-4,5-dimethylphenyl)methanone
CID 113319368

Frequently Asked Questions

What is the IUPAC name of (2-bromo-5-chloro-4-methylphenyl)-(4-methylphenyl)methanone?
The IUPAC name of (2-bromo-5-chloro-4-methylphenyl)-(4-methylphenyl)methanone (CID 134514338) is (2-bromo-5-chloro-4-methylphenyl)-(4-methylphenyl)methanone.
What is the SMILES notation for (2-bromo-5-chloro-4-methylphenyl)-(4-methylphenyl)methanone?
The canonical SMILES for (2-bromo-5-chloro-4-methylphenyl)-(4-methylphenyl)methanone is Cc1ccc(C(=O)c2cc(Cl)c(C)cc2Br)cc1.
What is the InChIKey of (2-bromo-5-chloro-4-methylphenyl)-(4-methylphenyl)methanone?
The InChIKey is FVVQAMXSXHLVEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClO/c1-9-3-5-11(6-4-9)15(18)12-8-14(17)10(2)7-13(12)16/h3-8H,1-2H3.
What are the key properties of (2-bromo-5-chloro-4-methylphenyl)-(4-methylphenyl)methanone?
(2-bromo-5-chloro-4-methylphenyl)-(4-methylphenyl)methanone has a molecular weight of 323.62 g/mol, XLogP of 4.95, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-5-chloro-4-methylphenyl)-(4-methylphenyl)methanone is sourced from PubChem (CID 134514338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).