(3-bromo-5-methylphenyl)-(2,6-difluoro-4-methoxyphenyl)methanone

C15H11BrF2O2 — CID 104850995

IUPAC(3-bromo-5-methylphenyl)-(2,6-difluoro-4-methoxyphenyl)methanone
SMILESCOc1cc(F)c(C(=O)c2cc(C)cc(Br)c2)c(F)c1
InChIInChI=1S/C15H11BrF2O2/c1-8-3-9(5-10(16)4-8)15(19)14-12(17)6-11(20-2)7-13(14)18/h3-7H,1-2H3
InChIKeyGMTLURRJLVHXEG-UHFFFAOYSA-N
MW341.15 g/mol
LogP4.28
Rot. Bonds3

About (3-bromo-5-methylphenyl)-(2,6-difluoro-4-methoxyphenyl)methanone

(3-bromo-5-methylphenyl)-(2,6-difluoro-4-methoxyphenyl)methanone (PubChem CID 104850995) has the molecular formula C15H11BrF2O2 and a molecular weight of 341.15 g/mol. Its IUPAC name is (3-bromo-5-methylphenyl)-(2,6-difluoro-4-methoxyphenyl)methanone.

Molecular Properties

Compound Name(3-bromo-5-methylphenyl)-(2,6-difluoro-4-methoxyphenyl)methanone
PubChem CID104850995
Molecular FormulaC15H11BrF2O2
Molecular Weight341.15 g/mol
Exact Mass339.99
IUPAC Name(3-bromo-5-methylphenyl)-(2,6-difluoro-4-methoxyphenyl)methanone
SMILESCOc1cc(F)c(C(=O)c2cc(C)cc(Br)c2)c(F)c1
InChIInChI=1S/C15H11BrF2O2/c1-8-3-9(5-10(16)4-8)15(19)14-12(17)6-11(20-2)7-13(14)18/h3-7H,1-2H3
InChIKeyGMTLURRJLVHXEG-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

(4-bromo-2,6-difluorophenyl)-(3,5-dimethoxyphenyl)methanone
CID 115785405
(2-bromo-4,6-dimethoxyphenyl)-(3-bromo-5-methylphenyl)methanone
CID 104851039
(2,6-difluoro-4-methoxyphenyl)-(4-methylphenyl)methanone
CID 54880508
(2,6-difluoro-4-methoxyphenyl)-(3,4,5-trifluorophenyl)methanone
CID 63187510
(3-bromo-5-methylphenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanone
CID 104851011
(3,5-dichlorophenyl)-(2,6-difluoro-4-methoxyphenyl)methanone
CID 60965946
methyl 3-bromo-5-methylbenzenecarboperoxoate
CID 166686866
3-bromo-N-(3,5-dimethoxyphenyl)-5-methylbenzamide
CID 104851763
(3-bromo-5-methylphenyl)-(2-fluorophenyl)methanone
CID 114965994
(5-bromo-4-methylthiophen-2-yl)-(2,6-difluoro-4-methoxyphenyl)methanone
CID 79982235
1-(2-fluoro-4-methoxy-6-methylphenyl)ethanone
CID 171014376
(3-bromo-4-methoxyphenyl)-(3-bromo-5-methylphenyl)methanone
CID 104850964

Frequently Asked Questions

What is the IUPAC name of (3-bromo-5-methylphenyl)-(2,6-difluoro-4-methoxyphenyl)methanone?
The IUPAC name of (3-bromo-5-methylphenyl)-(2,6-difluoro-4-methoxyphenyl)methanone (CID 104850995) is (3-bromo-5-methylphenyl)-(2,6-difluoro-4-methoxyphenyl)methanone.
What is the SMILES notation for (3-bromo-5-methylphenyl)-(2,6-difluoro-4-methoxyphenyl)methanone?
The canonical SMILES for (3-bromo-5-methylphenyl)-(2,6-difluoro-4-methoxyphenyl)methanone is COc1cc(F)c(C(=O)c2cc(C)cc(Br)c2)c(F)c1.
What is the InChIKey of (3-bromo-5-methylphenyl)-(2,6-difluoro-4-methoxyphenyl)methanone?
The InChIKey is GMTLURRJLVHXEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrF2O2/c1-8-3-9(5-10(16)4-8)15(19)14-12(17)6-11(20-2)7-13(14)18/h3-7H,1-2H3.
What are the key properties of (3-bromo-5-methylphenyl)-(2,6-difluoro-4-methoxyphenyl)methanone?
(3-bromo-5-methylphenyl)-(2,6-difluoro-4-methoxyphenyl)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-5-methylphenyl)-(2,6-difluoro-4-methoxyphenyl)methanone is sourced from PubChem (CID 104850995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).