(2-bromo-5-methylphenyl)-(2,5-dichlorophenyl)methanone

C14H9BrCl2O — CID 81110557

IUPAC(2-bromo-5-methylphenyl)-(2,5-dichlorophenyl)methanone
SMILESCc1ccc(Br)c(C(=O)c2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C14H9BrCl2O/c1-8-2-4-12(15)10(6-8)14(18)11-7-9(16)3-5-13(11)17/h2-7H,1H3
InChIKeyQRUSKHNAHYLFRU-UHFFFAOYSA-N
MW344.04 g/mol
LogP5.30
Rot. Bonds2

About (2-bromo-5-methylphenyl)-(2,5-dichlorophenyl)methanone

(2-bromo-5-methylphenyl)-(2,5-dichlorophenyl)methanone (PubChem CID 81110557) has the molecular formula C14H9BrCl2O and a molecular weight of 344.04 g/mol. Its IUPAC name is (2-bromo-5-methylphenyl)-(2,5-dichlorophenyl)methanone.

Molecular Properties

Compound Name(2-bromo-5-methylphenyl)-(2,5-dichlorophenyl)methanone
PubChem CID81110557
Molecular FormulaC14H9BrCl2O
Molecular Weight344.04 g/mol
Exact Mass341.92
IUPAC Name(2-bromo-5-methylphenyl)-(2,5-dichlorophenyl)methanone
SMILESCc1ccc(Br)c(C(=O)c2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C14H9BrCl2O/c1-8-2-4-12(15)10(6-8)14(18)11-7-9(16)3-5-13(11)17/h2-7H,1H3
InChIKeyQRUSKHNAHYLFRU-UHFFFAOYSA-N
XLogP5.30
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.04
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2-bromo-5-methylphenyl)-(2-chloro-4,5-dimethylphenyl)methanone
CID 113319368
(2-bromo-5-methylphenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone
CID 81110078
(2-bromo-5-methylphenyl)-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methanone
CID 81109944
(4-bromo-3-chloro-2-fluorophenyl)-(2-bromo-5-methylphenyl)methanone
CID 106764260
(2-bromo-5-methylphenyl)-(5-chloro-1-benzofuran-2-yl)methanone
CID 115808561
(4-bromo-2-methylphenyl)-(2,5-dichlorophenyl)methanone
CID 43629690
(5-bromo-2-chlorophenyl)-(2,5-dimethylphenyl)methanone
CID 43378824
2-bromo-N-(2-bromo-5-chlorophenyl)-5-methylbenzamide
CID 81270262
(3-bromo-4-methylphenyl)-(2,5-dichlorophenyl)methanone
CID 81472655
(4-bromo-3-chlorophenyl)-(2-fluoro-5-methylphenyl)methanone
CID 114970869
(2,5-dichlorophenyl)-(3,5-dimethylphenyl)methanone
CID 43344611
(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)-(2,5-dichlorophenyl)methanone?
The IUPAC name of (2-bromo-5-methylphenyl)-(2,5-dichlorophenyl)methanone (CID 81110557) is (2-bromo-5-methylphenyl)-(2,5-dichlorophenyl)methanone.
What is the SMILES notation for (2-bromo-5-methylphenyl)-(2,5-dichlorophenyl)methanone?
The canonical SMILES for (2-bromo-5-methylphenyl)-(2,5-dichlorophenyl)methanone is Cc1ccc(Br)c(C(=O)c2cc(Cl)ccc2Cl)c1.
What is the InChIKey of (2-bromo-5-methylphenyl)-(2,5-dichlorophenyl)methanone?
The InChIKey is QRUSKHNAHYLFRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrCl2O/c1-8-2-4-12(15)10(6-8)14(18)11-7-9(16)3-5-13(11)17/h2-7H,1H3.
What are the key properties of (2-bromo-5-methylphenyl)-(2,5-dichlorophenyl)methanone?
(2-bromo-5-methylphenyl)-(2,5-dichlorophenyl)methanone has a molecular weight of 344.04 g/mol, XLogP of 5.30, 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)-(2,5-dichlorophenyl)methanone is sourced from PubChem (CID 81110557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).