(3-bromo-4-methylphenyl)-(2,5-dichlorophenyl)methanone

C14H9BrCl2O — CID 81472655

IUPAC(3-bromo-4-methylphenyl)-(2,5-dichlorophenyl)methanone
SMILESCc1ccc(C(=O)c2cc(Cl)ccc2Cl)cc1Br
InChIInChI=1S/C14H9BrCl2O/c1-8-2-3-9(6-12(8)15)14(18)11-7-10(16)4-5-13(11)17/h2-7H,1H3
InChIKeySHGKNOOAFXSXDX-UHFFFAOYSA-N
MW344.04 g/mol
LogP5.30
Rot. Bonds2

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

(3-bromo-4-methylphenyl)-(2,5-dichlorophenyl)methanone (PubChem CID 81472655) has the molecular formula C14H9BrCl2O and a molecular weight of 344.04 g/mol. Its IUPAC name is (3-bromo-4-methylphenyl)-(2,5-dichlorophenyl)methanone.

Molecular Properties

Compound Name(3-bromo-4-methylphenyl)-(2,5-dichlorophenyl)methanone
PubChem CID81472655
Molecular FormulaC14H9BrCl2O
Molecular Weight344.04 g/mol
Exact Mass341.92
IUPAC Name(3-bromo-4-methylphenyl)-(2,5-dichlorophenyl)methanone
SMILESCc1ccc(C(=O)c2cc(Cl)ccc2Cl)cc1Br
InChIInChI=1S/C14H9BrCl2O/c1-8-2-3-9(6-12(8)15)14(18)11-7-10(16)4-5-13(11)17/h2-7H,1H3
InChIKeySHGKNOOAFXSXDX-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

(3-bromo-4-methylphenyl)-(3-chloro-4-methylphenyl)methanone
CID 103693752
(3-bromo-4-fluorophenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone
CID 114019742
(3-bromo-4-propoxyphenyl)-(2,5-dichlorophenyl)methanone
CID 104656991
(4-bromo-2-methylphenyl)-(2,5-dichlorophenyl)methanone
CID 43629690
(2,5-dichlorophenyl)-(3,5-dimethylphenyl)methanone
CID 43344611
(2,5-dichlorophenyl)-(3,4-difluorophenyl)methanone
CID 43338246
(3-chloro-4-methylphenyl)-(2,4-dichlorophenyl)methanone
CID 63492857
(5-chloro-2-fluorophenyl)-(3,4-dimethylphenyl)methanone
CID 43339976
(3-bromo-4-methylphenyl)-(2,4-difluorophenyl)methanone
CID 81472431
3-bromo-N-(2,4-dichlorophenyl)-4-methylbenzamide
CID 1297695
(3-bromo-4-methylphenyl)-(2,3-dimethylphenyl)methanone
CID 112694096
(2-bromo-5-methylphenyl)-(2,5-dichlorophenyl)methanone
CID 81110557

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-methylphenyl)-(2,5-dichlorophenyl)methanone?
The IUPAC name of (3-bromo-4-methylphenyl)-(2,5-dichlorophenyl)methanone (CID 81472655) is (3-bromo-4-methylphenyl)-(2,5-dichlorophenyl)methanone.
What is the SMILES notation for (3-bromo-4-methylphenyl)-(2,5-dichlorophenyl)methanone?
The canonical SMILES for (3-bromo-4-methylphenyl)-(2,5-dichlorophenyl)methanone is Cc1ccc(C(=O)c2cc(Cl)ccc2Cl)cc1Br.
What is the InChIKey of (3-bromo-4-methylphenyl)-(2,5-dichlorophenyl)methanone?
The InChIKey is SHGKNOOAFXSXDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrCl2O/c1-8-2-3-9(6-12(8)15)14(18)11-7-10(16)4-5-13(11)17/h2-7H,1H3.
What are the key properties of (3-bromo-4-methylphenyl)-(2,5-dichlorophenyl)methanone?
(3-bromo-4-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 (3-bromo-4-methylphenyl)-(2,5-dichlorophenyl)methanone is sourced from PubChem (CID 81472655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).