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

C15H11BrClFO — CID 81110078

IUPAC(2-bromo-5-methylphenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone
SMILESCc1ccc(Br)c(C(=O)c2cc(C)c(F)cc2Cl)c1
InChIInChI=1S/C15H11BrClFO/c1-8-3-4-12(16)10(5-8)15(19)11-6-9(2)14(18)7-13(11)17/h3-7H,1-2H3
InChIKeyBONFKRPCTOBKHC-UHFFFAOYSA-N
MW341.61 g/mol
LogP5.09
Rot. Bonds2

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

(2-bromo-5-methylphenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone (PubChem CID 81110078) has the molecular formula C15H11BrClFO and a molecular weight of 341.61 g/mol. Its IUPAC name is (2-bromo-5-methylphenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone.

Molecular Properties

Compound Name(2-bromo-5-methylphenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone
PubChem CID81110078
Molecular FormulaC15H11BrClFO
Molecular Weight341.61 g/mol
Exact Mass339.97
IUPAC Name(2-bromo-5-methylphenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone
SMILESCc1ccc(Br)c(C(=O)c2cc(C)c(F)cc2Cl)c1
InChIInChI=1S/C15H11BrClFO/c1-8-3-4-12(16)10(5-8)15(19)11-6-9(2)14(18)7-13(11)17/h3-7H,1-2H3
InChIKeyBONFKRPCTOBKHC-UHFFFAOYSA-N
XLogP5.09
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.61
LogP ≤ 55.09
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)-(2,5-dichlorophenyl)methanone
CID 81110557
(2-chloro-4-fluoro-5-methylphenyl)-(2,5-dichlorophenyl)methanone
CID 81045885
(2-chloro-4,5-difluorophenyl)-(2-fluoro-5-methylphenyl)methanone
CID 107475658
(3-bromo-4-fluorophenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone
CID 114019742
(4-bromo-3-chloro-2-fluorophenyl)-(2-bromo-5-methylphenyl)methanone
CID 106764260
(2-chloro-4-fluoro-5-methylphenyl)-(4-chloro-2-fluorophenyl)methanone
CID 81045884
(2-bromo-5-methylphenyl)-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methanone
CID 81109944
(2-chloro-4-fluoro-5-methylphenyl)-(2,6-difluorophenyl)methanone
CID 81045029
(3-bromo-4-methoxyphenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone
CID 81045034
(2-amino-5-methylphenyl)-(2,4-difluoro-5-methylphenyl)methanone
CID 79733206
(4-bromo-3-chlorophenyl)-(2-fluoro-5-methylphenyl)methanone
CID 114970869

Frequently Asked Questions

What is the IUPAC name of (2-bromo-5-methylphenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone?
The IUPAC name of (2-bromo-5-methylphenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone (CID 81110078) is (2-bromo-5-methylphenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone.
What is the SMILES notation for (2-bromo-5-methylphenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone?
The canonical SMILES for (2-bromo-5-methylphenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone is Cc1ccc(Br)c(C(=O)c2cc(C)c(F)cc2Cl)c1.
What is the InChIKey of (2-bromo-5-methylphenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone?
The InChIKey is BONFKRPCTOBKHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrClFO/c1-8-3-4-12(16)10(5-8)15(19)11-6-9(2)14(18)7-13(11)17/h3-7H,1-2H3.
What are the key properties of (2-bromo-5-methylphenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone?
(2-bromo-5-methylphenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone has a molecular weight of 341.61 g/mol, XLogP of 5.09, 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-chloro-4-fluoro-5-methylphenyl)methanone is sourced from PubChem (CID 81110078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).