(3-bromo-4-methoxyphenyl)-(2,6-difluoro-3-methylphenyl)methanone

C15H11BrF2O2 — CID 82814937

IUPAC(3-bromo-4-methoxyphenyl)-(2,6-difluoro-3-methylphenyl)methanone
SMILESCOc1ccc(C(=O)c2c(F)ccc(C)c2F)cc1Br
InChIInChI=1S/C15H11BrF2O2/c1-8-3-5-11(17)13(14(8)18)15(19)9-4-6-12(20-2)10(16)7-9/h3-7H,1-2H3
InChIKeyXXTFJQCUMWLBPH-UHFFFAOYSA-N
MW341.15 g/mol
LogP4.28
Rot. Bonds3

About (3-bromo-4-methoxyphenyl)-(2,6-difluoro-3-methylphenyl)methanone

(3-bromo-4-methoxyphenyl)-(2,6-difluoro-3-methylphenyl)methanone (PubChem CID 82814937) has the molecular formula C15H11BrF2O2 and a molecular weight of 341.15 g/mol. Its IUPAC name is (3-bromo-4-methoxyphenyl)-(2,6-difluoro-3-methylphenyl)methanone.

Molecular Properties

Compound Name(3-bromo-4-methoxyphenyl)-(2,6-difluoro-3-methylphenyl)methanone
PubChem CID82814937
Molecular FormulaC15H11BrF2O2
Molecular Weight341.15 g/mol
Exact Mass339.99
IUPAC Name(3-bromo-4-methoxyphenyl)-(2,6-difluoro-3-methylphenyl)methanone
SMILESCOc1ccc(C(=O)c2c(F)ccc(C)c2F)cc1Br
InChIInChI=1S/C15H11BrF2O2/c1-8-3-5-11(17)13(14(8)18)15(19)9-4-6-12(20-2)10(16)7-9/h3-7H,1-2H3
InChIKeyXXTFJQCUMWLBPH-UHFFFAOYSA-N
XLogP4.28
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.15
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2,6-difluoro-3-methylphenyl)-(4-fluoro-3-methoxyphenyl)methanone
CID 115794384
(2,6-difluoro-3-methylphenyl)-(3-methoxy-4-methylphenyl)methanone
CID 115794368
(3-bromo-4-methoxyphenyl)-(2,3-difluoro-4-methylphenyl)methanone
CID 107512834
(3-bromo-4-methoxyphenyl)-(2,3-difluorophenyl)methanone
CID 55101814
(2-bromo-6-fluorophenyl)-(4-methoxy-3-methylphenyl)methanone
CID 114558708
(3-bromo-4-methoxyphenyl)-(4-chloro-2-fluorophenyl)methanone
CID 43339851
(3-bromo-4-methoxyphenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone
CID 81045034
(3-bromo-4-methoxyphenyl)-(2,4-difluorophenyl)methanone
CID 43339880
(3-bromo-2,6-difluorophenyl)-(4-bromo-3-methylphenyl)methanone
CID 106944351
(2,6-difluoro-3-methylphenyl)-(4-methoxy-3,5-dimethylphenyl)methanone
CID 83044009
(3-bromo-4-methoxyphenyl)-(5-chloro-2-methoxyphenyl)methanone
CID 43339859
(4-bromo-2,5-dimethoxyphenyl)-(4-fluoro-3-methylphenyl)methanone
CID 105056482

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-methoxyphenyl)-(2,6-difluoro-3-methylphenyl)methanone?
The IUPAC name of (3-bromo-4-methoxyphenyl)-(2,6-difluoro-3-methylphenyl)methanone (CID 82814937) is (3-bromo-4-methoxyphenyl)-(2,6-difluoro-3-methylphenyl)methanone.
What is the SMILES notation for (3-bromo-4-methoxyphenyl)-(2,6-difluoro-3-methylphenyl)methanone?
The canonical SMILES for (3-bromo-4-methoxyphenyl)-(2,6-difluoro-3-methylphenyl)methanone is COc1ccc(C(=O)c2c(F)ccc(C)c2F)cc1Br.
What is the InChIKey of (3-bromo-4-methoxyphenyl)-(2,6-difluoro-3-methylphenyl)methanone?
The InChIKey is XXTFJQCUMWLBPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrF2O2/c1-8-3-5-11(17)13(14(8)18)15(19)9-4-6-12(20-2)10(16)7-9/h3-7H,1-2H3.
What are the key properties of (3-bromo-4-methoxyphenyl)-(2,6-difluoro-3-methylphenyl)methanone?
(3-bromo-4-methoxyphenyl)-(2,6-difluoro-3-methylphenyl)methanone has a molecular weight of 341.15 g/mol, XLogP of 4.28, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-methoxyphenyl)-(2,6-difluoro-3-methylphenyl)methanone is sourced from PubChem (CID 82814937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).