2-(4-bromo-2-methylphenoxy)-1-(4-ethoxyphenyl)ethanone

C17H17BrO3 — CID 63566036

IUPAC2-(4-bromo-2-methylphenoxy)-1-(4-ethoxyphenyl)ethanone
SMILESCCOc1ccc(C(=O)COc2ccc(Br)cc2C)cc1
InChIInChI=1S/C17H17BrO3/c1-3-20-15-7-4-13(5-8-15)16(19)11-21-17-9-6-14(18)10-12(17)2/h4-10H,3,11H2,1-2H3
InChIKeyYAONNFFSMDYOEM-UHFFFAOYSA-N
MW349.22 g/mol
LogP4.42
Rot. Bonds6

About 2-(4-bromo-2-methylphenoxy)-1-(4-ethoxyphenyl)ethanone

2-(4-bromo-2-methylphenoxy)-1-(4-ethoxyphenyl)ethanone (PubChem CID 63566036) has the molecular formula C17H17BrO3 and a molecular weight of 349.22 g/mol. Its IUPAC name is 2-(4-bromo-2-methylphenoxy)-1-(4-ethoxyphenyl)ethanone.

Molecular Properties

Compound Name2-(4-bromo-2-methylphenoxy)-1-(4-ethoxyphenyl)ethanone
PubChem CID63566036
Molecular FormulaC17H17BrO3
Molecular Weight349.22 g/mol
Exact Mass348.04
IUPAC Name2-(4-bromo-2-methylphenoxy)-1-(4-ethoxyphenyl)ethanone
SMILESCCOc1ccc(C(=O)COc2ccc(Br)cc2C)cc1
InChIInChI=1S/C17H17BrO3/c1-3-20-15-7-4-13(5-8-15)16(19)11-21-17-9-6-14(18)10-12(17)2/h4-10H,3,11H2,1-2H3
InChIKeyYAONNFFSMDYOEM-UHFFFAOYSA-N
XLogP4.42
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.22
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-bromo-2-methylphenoxy)-1-(4-ethoxyphenyl)ethanone
CID 107285034
2-(4-bromo-2-methylphenoxy)-1-(3-bromophenyl)ethanone
CID 55221609
2-(2-chloro-4-fluorophenoxy)-1-(4-ethoxyphenyl)ethanone
CID 60624554
1-(4-bromophenyl)-2-(3-ethoxyphenoxy)ethanone
CID 62337475
2-(2,4-dimethylphenoxy)-1-(4-methylphenyl)ethanone
CID 43411920
2-(4-bromo-2-methylphenoxy)acetamide
CID 803456
4-[2-(4-bromophenyl)-2-oxoethoxy]-3-ethoxybenzonitrile
CID 7993336
(5-bromo-2-methoxyphenyl)-(4-ethoxyphenyl)methanone
CID 43339931
N'-[2-(4-bromo-2-methylphenoxy)acetyl]-4-(2-methylpropoxy)benzohydrazide
CID 4930160
(3-bromophenyl)-(4-ethoxyphenyl)methanone
CID 24723180
2-(4-bromo-2-methylphenoxy)-1-(furan-2-yl)ethanone
CID 55026653
N-(4-bromo-2-methylphenyl)-2-(4-ethoxyphenoxy)acetamide
CID 7613552

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-methylphenoxy)-1-(4-ethoxyphenyl)ethanone?
The IUPAC name of 2-(4-bromo-2-methylphenoxy)-1-(4-ethoxyphenyl)ethanone (CID 63566036) is 2-(4-bromo-2-methylphenoxy)-1-(4-ethoxyphenyl)ethanone.
What is the SMILES notation for 2-(4-bromo-2-methylphenoxy)-1-(4-ethoxyphenyl)ethanone?
The canonical SMILES for 2-(4-bromo-2-methylphenoxy)-1-(4-ethoxyphenyl)ethanone is CCOc1ccc(C(=O)COc2ccc(Br)cc2C)cc1.
What is the InChIKey of 2-(4-bromo-2-methylphenoxy)-1-(4-ethoxyphenyl)ethanone?
The InChIKey is YAONNFFSMDYOEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrO3/c1-3-20-15-7-4-13(5-8-15)16(19)11-21-17-9-6-14(18)10-12(17)2/h4-10H,3,11H2,1-2H3.
What are the key properties of 2-(4-bromo-2-methylphenoxy)-1-(4-ethoxyphenyl)ethanone?
2-(4-bromo-2-methylphenoxy)-1-(4-ethoxyphenyl)ethanone has a molecular weight of 349.22 g/mol, XLogP of 4.42, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-methylphenoxy)-1-(4-ethoxyphenyl)ethanone is sourced from PubChem (CID 63566036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).