2-(2-bromo-4-methylphenoxy)-1-(3,4-dimethylphenyl)ethanone

C17H17BrO2 — CID 60624093

IUPAC2-(2-bromo-4-methylphenoxy)-1-(3,4-dimethylphenyl)ethanone
SMILESCc1ccc(OCC(=O)c2ccc(C)c(C)c2)c(Br)c1
InChIInChI=1S/C17H17BrO2/c1-11-4-7-17(15(18)8-11)20-10-16(19)14-6-5-12(2)13(3)9-14/h4-9H,10H2,1-3H3
InChIKeyDXXVBGNITSEMBX-UHFFFAOYSA-N
MW333.23 g/mol
LogP4.64
Rot. Bonds4

About 2-(2-bromo-4-methylphenoxy)-1-(3,4-dimethylphenyl)ethanone

2-(2-bromo-4-methylphenoxy)-1-(3,4-dimethylphenyl)ethanone (PubChem CID 60624093) has the molecular formula C17H17BrO2 and a molecular weight of 333.23 g/mol. Its IUPAC name is 2-(2-bromo-4-methylphenoxy)-1-(3,4-dimethylphenyl)ethanone.

Molecular Properties

Compound Name2-(2-bromo-4-methylphenoxy)-1-(3,4-dimethylphenyl)ethanone
PubChem CID60624093
Molecular FormulaC17H17BrO2
Molecular Weight333.23 g/mol
Exact Mass332.04
IUPAC Name2-(2-bromo-4-methylphenoxy)-1-(3,4-dimethylphenyl)ethanone
SMILESCc1ccc(OCC(=O)c2ccc(C)c(C)c2)c(Br)c1
InChIInChI=1S/C17H17BrO2/c1-11-4-7-17(15(18)8-11)20-10-16(19)14-6-5-12(2)13(3)9-14/h4-9H,10H2,1-3H3
InChIKeyDXXVBGNITSEMBX-UHFFFAOYSA-N
XLogP4.64
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.23
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-2-[2-(3,4-dimethylphenyl)-2-oxoethoxy]benzonitrile
CID 83136320
2-(2,4-dimethylphenoxy)-1-(4-methylphenyl)ethanone
CID 43411920
2-(2-bromo-4-methylphenoxy)-N'-[2-(2-bromo-4-methylphenoxy)acetyl]acetohydrazide
CID 5089524
1-(2-bromo-4-methylphenoxy)butan-2-one
CID 62040640
1-(3-bromo-4-methoxyphenyl)-2-(2,5-dimethylphenyl)ethanone
CID 63490270
1-(3-bromo-4-methoxyphenyl)-2-(2,3-dimethylphenoxy)ethanone
CID 957478
2-(3-bromo-4-fluorophenoxy)-1-(3,4-dimethylphenyl)ethanone
CID 83234637
2-(2-chloro-4-methylphenoxy)-1-(4-iodophenyl)ethanone
CID 63568169
2-(2-bromo-4-methylphenoxy)-N,N-di(propan-2-yl)acetamide
CID 965418
2-(2-bromo-4-chlorophenoxy)-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 55373790
1-(3,4-dimethylphenyl)-2-[2-(2-hydroxyethyl)phenoxy]ethanone
CID 107712866
2-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]ethyl-dimethylazanium
CID 2184742

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-methylphenoxy)-1-(3,4-dimethylphenyl)ethanone?
The IUPAC name of 2-(2-bromo-4-methylphenoxy)-1-(3,4-dimethylphenyl)ethanone (CID 60624093) is 2-(2-bromo-4-methylphenoxy)-1-(3,4-dimethylphenyl)ethanone.
What is the SMILES notation for 2-(2-bromo-4-methylphenoxy)-1-(3,4-dimethylphenyl)ethanone?
The canonical SMILES for 2-(2-bromo-4-methylphenoxy)-1-(3,4-dimethylphenyl)ethanone is Cc1ccc(OCC(=O)c2ccc(C)c(C)c2)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4-methylphenoxy)-1-(3,4-dimethylphenyl)ethanone?
The InChIKey is DXXVBGNITSEMBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrO2/c1-11-4-7-17(15(18)8-11)20-10-16(19)14-6-5-12(2)13(3)9-14/h4-9H,10H2,1-3H3.
What are the key properties of 2-(2-bromo-4-methylphenoxy)-1-(3,4-dimethylphenyl)ethanone?
2-(2-bromo-4-methylphenoxy)-1-(3,4-dimethylphenyl)ethanone has a molecular weight of 333.23 g/mol, XLogP of 4.64, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-methylphenoxy)-1-(3,4-dimethylphenyl)ethanone is sourced from PubChem (CID 60624093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).