2-(5-bromo-2-methylphenoxy)-1-(2-methoxy-4-methylphenyl)ethanone

C17H17BrO3 — CID 107285015

IUPAC2-(5-bromo-2-methylphenoxy)-1-(2-methoxy-4-methylphenyl)ethanone
SMILESCOc1cc(C)ccc1C(=O)COc1cc(Br)ccc1C
InChIInChI=1S/C17H17BrO3/c1-11-4-7-14(17(8-11)20-3)15(19)10-21-16-9-13(18)6-5-12(16)2/h4-9H,10H2,1-3H3
InChIKeyCEZYXGNPVHVAAS-UHFFFAOYSA-N
MW349.22 g/mol
LogP4.34
Rot. Bonds5

About 2-(5-bromo-2-methylphenoxy)-1-(2-methoxy-4-methylphenyl)ethanone

2-(5-bromo-2-methylphenoxy)-1-(2-methoxy-4-methylphenyl)ethanone (PubChem CID 107285015) has the molecular formula C17H17BrO3 and a molecular weight of 349.22 g/mol. Its IUPAC name is 2-(5-bromo-2-methylphenoxy)-1-(2-methoxy-4-methylphenyl)ethanone.

Molecular Properties

Compound Name2-(5-bromo-2-methylphenoxy)-1-(2-methoxy-4-methylphenyl)ethanone
PubChem CID107285015
Molecular FormulaC17H17BrO3
Molecular Weight349.22 g/mol
Exact Mass348.04
IUPAC Name2-(5-bromo-2-methylphenoxy)-1-(2-methoxy-4-methylphenyl)ethanone
SMILESCOc1cc(C)ccc1C(=O)COc1cc(Br)ccc1C
InChIInChI=1S/C17H17BrO3/c1-11-4-7-14(17(8-11)20-3)15(19)10-21-16-9-13(18)6-5-12(16)2/h4-9H,10H2,1-3H3
InChIKeyCEZYXGNPVHVAAS-UHFFFAOYSA-N
XLogP4.34
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.22
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,5-dimethylphenoxy)-1-(2,4-dimethylphenyl)ethanone
CID 43412276
1-(2,4-dimethylphenyl)-2-(2-methoxy-4-methylphenoxy)ethanone
CID 43413909
2-(2-iodophenoxy)-1-(2-methoxy-4-methylphenyl)ethanone
CID 62032361
1-(2,5-dibromothiophen-3-yl)-2-(2,5-dimethylphenoxy)ethanone
CID 43220072
1-(2,4-dihydroxyphenyl)-2-(2,5-dimethylphenoxy)ethanone
CID 16641365
2-(2,5-dichlorophenoxy)-1-(2-methoxy-4-methylphenyl)ethanone
CID 63565665
5-bromo-2-[2-(2,4-dimethylphenyl)-2-oxoethoxy]benzonitrile
CID 83136314
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 3-(2,5-dimethylphenoxy)propanoate
CID 7856465
1-(4-bromo-2-methoxyphenyl)-2-(3,5-dimethylphenyl)ethanone
CID 114963290
2-(3-bromophenyl)-1-(2-methoxy-4-methylphenyl)ethanone
CID 106790334
1-(2,4-dimethoxyphenyl)-2-(5-methyl-2-nitrophenoxy)ethanone
CID 31885361
1-(4-bromo-2-methoxyphenyl)-2-(2-methylphenyl)ethanone
CID 113296084

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-methylphenoxy)-1-(2-methoxy-4-methylphenyl)ethanone?
The IUPAC name of 2-(5-bromo-2-methylphenoxy)-1-(2-methoxy-4-methylphenyl)ethanone (CID 107285015) is 2-(5-bromo-2-methylphenoxy)-1-(2-methoxy-4-methylphenyl)ethanone.
What is the SMILES notation for 2-(5-bromo-2-methylphenoxy)-1-(2-methoxy-4-methylphenyl)ethanone?
The canonical SMILES for 2-(5-bromo-2-methylphenoxy)-1-(2-methoxy-4-methylphenyl)ethanone is COc1cc(C)ccc1C(=O)COc1cc(Br)ccc1C.
What is the InChIKey of 2-(5-bromo-2-methylphenoxy)-1-(2-methoxy-4-methylphenyl)ethanone?
The InChIKey is CEZYXGNPVHVAAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrO3/c1-11-4-7-14(17(8-11)20-3)15(19)10-21-16-9-13(18)6-5-12(16)2/h4-9H,10H2,1-3H3.
What are the key properties of 2-(5-bromo-2-methylphenoxy)-1-(2-methoxy-4-methylphenyl)ethanone?
2-(5-bromo-2-methylphenoxy)-1-(2-methoxy-4-methylphenyl)ethanone has a molecular weight of 349.22 g/mol, XLogP of 4.34, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-methylphenoxy)-1-(2-methoxy-4-methylphenyl)ethanone is sourced from PubChem (CID 107285015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).