(5-bromo-2-methoxy-4-methylphenyl)-(3,4-dimethylphenyl)methanone

C17H17BrO2 — CID 65439137

IUPAC(5-bromo-2-methoxy-4-methylphenyl)-(3,4-dimethylphenyl)methanone
SMILESCOc1cc(C)c(Br)cc1C(=O)c1ccc(C)c(C)c1
InChIInChI=1S/C17H17BrO2/c1-10-5-6-13(7-11(10)2)17(19)14-9-15(18)12(3)8-16(14)20-4/h5-9H,1-4H3
InChIKeyZWROOYGSZUYTKZ-UHFFFAOYSA-N
MW333.23 g/mol
LogP4.61
Rot. Bonds3

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

(5-bromo-2-methoxy-4-methylphenyl)-(3,4-dimethylphenyl)methanone (PubChem CID 65439137) has the molecular formula C17H17BrO2 and a molecular weight of 333.23 g/mol. Its IUPAC name is (5-bromo-2-methoxy-4-methylphenyl)-(3,4-dimethylphenyl)methanone.

Molecular Properties

Compound Name(5-bromo-2-methoxy-4-methylphenyl)-(3,4-dimethylphenyl)methanone
PubChem CID65439137
Molecular FormulaC17H17BrO2
Molecular Weight333.23 g/mol
Exact Mass332.04
IUPAC Name(5-bromo-2-methoxy-4-methylphenyl)-(3,4-dimethylphenyl)methanone
SMILESCOc1cc(C)c(Br)cc1C(=O)c1ccc(C)c(C)c1
InChIInChI=1S/C17H17BrO2/c1-10-5-6-13(7-11(10)2)17(19)14-9-15(18)12(3)8-16(14)20-4/h5-9H,1-4H3
InChIKeyZWROOYGSZUYTKZ-UHFFFAOYSA-N
XLogP4.61
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.23
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-bromo-4,5-dimethoxyphenyl)-(3,4-dimethylphenyl)methanone
CID 43161110
(4-bromo-3-methylphenyl)-(2,4-dimethoxyphenyl)methanone
CID 114971196
(4-bromo-2,5-dimethoxyphenyl)-(4-fluoro-3-methylphenyl)methanone
CID 105056482
(4-bromo-2,5-dimethoxyphenyl)-(4-chloro-3-methylphenyl)methanone
CID 105056463
(3,4-dimethylphenyl)-(2-methoxyphenyl)methanone
CID 24722768
(5-bromo-2-methoxy-4-methylphenyl)-(3-methoxythiophen-2-yl)methanone
CID 81127883
1-(5-bromo-2-methoxy-4-methylphenyl)-2-chloroethanone
CID 65439722
(2-bromophenyl)-(4-methoxy-3-methylphenyl)methanone
CID 43379600
(5-bromo-2-methoxy-4-methylphenyl)-(5-bromo-4-methylthiophen-2-yl)methanone
CID 79981857
(5-bromo-2-methoxy-4-methylphenyl)-(2-fluoro-4-methoxyphenyl)methanone
CID 102882282
(5-bromo-2-methoxy-4-methylphenyl)-(4-chloro-2-fluorophenyl)methanone
CID 65440857
1-(5-bromo-2-methoxy-4-methylphenyl)-2,2-dimethylpropan-1-one
CID 65438555

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-methoxy-4-methylphenyl)-(3,4-dimethylphenyl)methanone?
The IUPAC name of (5-bromo-2-methoxy-4-methylphenyl)-(3,4-dimethylphenyl)methanone (CID 65439137) is (5-bromo-2-methoxy-4-methylphenyl)-(3,4-dimethylphenyl)methanone.
What is the SMILES notation for (5-bromo-2-methoxy-4-methylphenyl)-(3,4-dimethylphenyl)methanone?
The canonical SMILES for (5-bromo-2-methoxy-4-methylphenyl)-(3,4-dimethylphenyl)methanone is COc1cc(C)c(Br)cc1C(=O)c1ccc(C)c(C)c1.
What is the InChIKey of (5-bromo-2-methoxy-4-methylphenyl)-(3,4-dimethylphenyl)methanone?
The InChIKey is ZWROOYGSZUYTKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrO2/c1-10-5-6-13(7-11(10)2)17(19)14-9-15(18)12(3)8-16(14)20-4/h5-9H,1-4H3.
What are the key properties of (5-bromo-2-methoxy-4-methylphenyl)-(3,4-dimethylphenyl)methanone?
(5-bromo-2-methoxy-4-methylphenyl)-(3,4-dimethylphenyl)methanone has a molecular weight of 333.23 g/mol, XLogP of 4.61, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-methoxy-4-methylphenyl)-(3,4-dimethylphenyl)methanone is sourced from PubChem (CID 65439137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).