2-(5-bromo-2-methylphenoxy)-1-(4-ethoxyphenyl)ethanone

C17H17BrO3 — CID 107285034

IUPAC2-(5-bromo-2-methylphenoxy)-1-(4-ethoxyphenyl)ethanone
SMILESCCOc1ccc(C(=O)COc2cc(Br)ccc2C)cc1
InChIInChI=1S/C17H17BrO3/c1-3-20-15-8-5-13(6-9-15)16(19)11-21-17-10-14(18)7-4-12(17)2/h4-10H,3,11H2,1-2H3
InChIKeyAXYBSFCJWYAHSC-UHFFFAOYSA-N
MW349.22 g/mol
LogP4.42
Rot. Bonds6

About 2-(5-bromo-2-methylphenoxy)-1-(4-ethoxyphenyl)ethanone

2-(5-bromo-2-methylphenoxy)-1-(4-ethoxyphenyl)ethanone (PubChem CID 107285034) has the molecular formula C17H17BrO3 and a molecular weight of 349.22 g/mol. Its IUPAC name is 2-(5-bromo-2-methylphenoxy)-1-(4-ethoxyphenyl)ethanone.

Molecular Properties

Compound Name2-(5-bromo-2-methylphenoxy)-1-(4-ethoxyphenyl)ethanone
PubChem CID107285034
Molecular FormulaC17H17BrO3
Molecular Weight349.22 g/mol
Exact Mass348.04
IUPAC Name2-(5-bromo-2-methylphenoxy)-1-(4-ethoxyphenyl)ethanone
SMILESCCOc1ccc(C(=O)COc2cc(Br)ccc2C)cc1
InChIInChI=1S/C17H17BrO3/c1-3-20-15-8-5-13(6-9-15)16(19)11-21-17-10-14(18)7-4-12(17)2/h4-10H,3,11H2,1-2H3
InChIKeyAXYBSFCJWYAHSC-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-(4-bromo-2-methylphenoxy)-1-(4-ethoxyphenyl)ethanone
CID 63566036
1-(4-bromophenyl)-2-(3-ethoxyphenoxy)ethanone
CID 62337475
4-[2-(4-bromophenyl)-2-oxoethoxy]-3-ethoxybenzonitrile
CID 7993336
2-(5-bromo-2-fluorophenoxy)-1-(4-methylphenyl)ethanone
CID 114674097
5-bromo-2-[2-(3,4-dimethylphenyl)-2-oxoethoxy]benzonitrile
CID 83136320
(3-bromophenyl)-(4-ethoxyphenyl)methanone
CID 24723180
2-(4-bromo-2-methylphenoxy)-1-(3-bromophenyl)ethanone
CID 55221609
N'-[2-(2,5-dimethylphenoxy)acetyl]-4-ethoxybenzohydrazide
CID 26845933
2-(3,5-difluorophenoxy)-1-(4-ethoxyphenyl)ethanone
CID 62785423
2-(5-bromo-2-methylphenoxy)-1-(2-methoxy-4-methylphenyl)ethanone
CID 107285015
2-(2-chloro-4-fluorophenoxy)-1-(4-ethoxyphenyl)ethanone
CID 60624554
1-(4-ethoxyphenyl)-2-(5-methyl-2-nitrophenoxy)ethanone
CID 31885400

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-methylphenoxy)-1-(4-ethoxyphenyl)ethanone?
The IUPAC name of 2-(5-bromo-2-methylphenoxy)-1-(4-ethoxyphenyl)ethanone (CID 107285034) is 2-(5-bromo-2-methylphenoxy)-1-(4-ethoxyphenyl)ethanone.
What is the SMILES notation for 2-(5-bromo-2-methylphenoxy)-1-(4-ethoxyphenyl)ethanone?
The canonical SMILES for 2-(5-bromo-2-methylphenoxy)-1-(4-ethoxyphenyl)ethanone is CCOc1ccc(C(=O)COc2cc(Br)ccc2C)cc1.
What is the InChIKey of 2-(5-bromo-2-methylphenoxy)-1-(4-ethoxyphenyl)ethanone?
The InChIKey is AXYBSFCJWYAHSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrO3/c1-3-20-15-8-5-13(6-9-15)16(19)11-21-17-10-14(18)7-4-12(17)2/h4-10H,3,11H2,1-2H3.
What are the key properties of 2-(5-bromo-2-methylphenoxy)-1-(4-ethoxyphenyl)ethanone?
2-(5-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-(5-bromo-2-methylphenoxy)-1-(4-ethoxyphenyl)ethanone is sourced from PubChem (CID 107285034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).