(4-bromo-2-chlorophenyl)-(2,5-dimethylphenyl)methanone

C15H12BrClO — CID 43805047

IUPAC(4-bromo-2-chlorophenyl)-(2,5-dimethylphenyl)methanone
SMILESCc1ccc(C)c(C(=O)c2ccc(Br)cc2Cl)c1
InChIInChI=1S/C15H12BrClO/c1-9-3-4-10(2)13(7-9)15(18)12-6-5-11(16)8-14(12)17/h3-8H,1-2H3
InChIKeyCUIJAJASNZRXEL-UHFFFAOYSA-N
MW323.62 g/mol
LogP4.95
Rot. Bonds2

About (4-bromo-2-chlorophenyl)-(2,5-dimethylphenyl)methanone

(4-bromo-2-chlorophenyl)-(2,5-dimethylphenyl)methanone (PubChem CID 43805047) has the molecular formula C15H12BrClO and a molecular weight of 323.62 g/mol. Its IUPAC name is (4-bromo-2-chlorophenyl)-(2,5-dimethylphenyl)methanone.

Molecular Properties

Compound Name(4-bromo-2-chlorophenyl)-(2,5-dimethylphenyl)methanone
PubChem CID43805047
Molecular FormulaC15H12BrClO
Molecular Weight323.62 g/mol
Exact Mass321.98
IUPAC Name(4-bromo-2-chlorophenyl)-(2,5-dimethylphenyl)methanone
SMILESCc1ccc(C)c(C(=O)c2ccc(Br)cc2Cl)c1
InChIInChI=1S/C15H12BrClO/c1-9-3-4-10(2)13(7-9)15(18)12-6-5-11(16)8-14(12)17/h3-8H,1-2H3
InChIKeyCUIJAJASNZRXEL-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

(5-bromo-2-chlorophenyl)-(2,5-dimethylphenyl)methanone
CID 43378824
(2-chloro-4-fluorophenyl)-(2,5-dimethylphenyl)methanone
CID 43159718
(5-bromo-2-methylphenyl)-(2-chlorophenyl)methanone
CID 114963344
(2-chloro-4-methylphenyl)-(2,4,5-trimethylphenyl)methanone
CID 106864991
(4-bromo-2-methylphenyl)-(2,4-dichlorophenyl)methanone
CID 63492688
(4-bromo-2-chlorophenyl)-(2,5-dimethylthiophen-3-yl)methanone
CID 43805092
(4-bromo-2-methylphenyl)-(2-chloro-4,5-dimethylphenyl)methanone
CID 113319354
(2-chloro-4-methylphenyl)-(4,5-dimethoxy-2-methylphenyl)methanone
CID 106860799
(4-bromo-2-chlorophenyl)-(2,5-dichlorophenyl)methanone
CID 43805120
(2-bromo-5-methylphenyl)-(2-chloro-4,5-dimethylphenyl)methanone
CID 113319368
(5-bromo-4-chlorothiophen-2-yl)-(2,5-dimethylphenyl)methanone
CID 80531818
4-bromo-2-chloro-N-(2-chloro-4-methylphenyl)benzamide
CID 47299820

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-chlorophenyl)-(2,5-dimethylphenyl)methanone?
The IUPAC name of (4-bromo-2-chlorophenyl)-(2,5-dimethylphenyl)methanone (CID 43805047) is (4-bromo-2-chlorophenyl)-(2,5-dimethylphenyl)methanone.
What is the SMILES notation for (4-bromo-2-chlorophenyl)-(2,5-dimethylphenyl)methanone?
The canonical SMILES for (4-bromo-2-chlorophenyl)-(2,5-dimethylphenyl)methanone is Cc1ccc(C)c(C(=O)c2ccc(Br)cc2Cl)c1.
What is the InChIKey of (4-bromo-2-chlorophenyl)-(2,5-dimethylphenyl)methanone?
The InChIKey is CUIJAJASNZRXEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClO/c1-9-3-4-10(2)13(7-9)15(18)12-6-5-11(16)8-14(12)17/h3-8H,1-2H3.
What are the key properties of (4-bromo-2-chlorophenyl)-(2,5-dimethylphenyl)methanone?
(4-bromo-2-chlorophenyl)-(2,5-dimethylphenyl)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 (4-bromo-2-chlorophenyl)-(2,5-dimethylphenyl)methanone is sourced from PubChem (CID 43805047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).