2-(4-chlorophenoxy)-1-(3-ethoxyphenyl)ethanone

C16H15ClO3 — CID 105122407

IUPAC2-(4-chlorophenoxy)-1-(3-ethoxyphenyl)ethanone
SMILESCCOc1cccc(C(=O)COc2ccc(Cl)cc2)c1
InChIInChI=1S/C16H15ClO3/c1-2-19-15-5-3-4-12(10-15)16(18)11-20-14-8-6-13(17)7-9-14/h3-10H,2,11H2,1H3
InChIKeyJZUKPPJEHOUGPK-UHFFFAOYSA-N
MW290.75 g/mol
LogP4.00
Rot. Bonds6

About 2-(4-chlorophenoxy)-1-(3-ethoxyphenyl)ethanone

2-(4-chlorophenoxy)-1-(3-ethoxyphenyl)ethanone (PubChem CID 105122407) has the molecular formula C16H15ClO3 and a molecular weight of 290.75 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-1-(3-ethoxyphenyl)ethanone.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-1-(3-ethoxyphenyl)ethanone
PubChem CID105122407
Molecular FormulaC16H15ClO3
Molecular Weight290.75 g/mol
Exact Mass290.07
IUPAC Name2-(4-chlorophenoxy)-1-(3-ethoxyphenyl)ethanone
SMILESCCOc1cccc(C(=O)COc2ccc(Cl)cc2)c1
InChIInChI=1S/C16H15ClO3/c1-2-19-15-5-3-4-12(10-15)16(18)11-20-14-8-6-13(17)7-9-14/h3-10H,2,11H2,1H3
InChIKeyJZUKPPJEHOUGPK-UHFFFAOYSA-N
XLogP4.00
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(4-chlorophenoxy)-1-(3-ethoxyphenyl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-chlorophenyl)-2-(3-methoxyphenoxy)ethanone
CID 43412672
1-(2,4-dichlorophenyl)-2-(3-ethoxyphenoxy)ethanone
CID 62335593
2-(3-chlorophenoxy)-1-(4-fluoro-3-methylphenyl)ethanone
CID 105095876
1-(2,5-dichlorophenyl)-2-(4-ethoxyphenoxy)ethanone
CID 43411639
2-(2-chloro-3-fluorophenyl)-1-(3-ethoxyphenyl)ethanone
CID 115983474
1-(4-bromophenyl)-2-(3-ethoxyphenoxy)ethanone
CID 62337475
2-(4-chlorophenoxy)-1-pyridin-3-ylethanone
CID 86157573
2-(3-ethoxyphenoxy)-1-(4-ethylphenyl)ethanone
CID 62338272
2-(3-chloro-4-fluorophenoxy)-1-(3-fluorophenyl)ethanone
CID 60675294
N-(4-chlorophenyl)-2-(3-ethoxyphenoxy)acetamide
CID 112977797
1-(4-chlorophenyl)-2-(3-propan-2-ylphenoxy)ethanone
CID 43412075
3-(3-ethoxyphenyl)-3-oxopropanal
CID 55266464

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-1-(3-ethoxyphenyl)ethanone?
The IUPAC name of 2-(4-chlorophenoxy)-1-(3-ethoxyphenyl)ethanone (CID 105122407) is 2-(4-chlorophenoxy)-1-(3-ethoxyphenyl)ethanone.
What is the SMILES notation for 2-(4-chlorophenoxy)-1-(3-ethoxyphenyl)ethanone?
The canonical SMILES for 2-(4-chlorophenoxy)-1-(3-ethoxyphenyl)ethanone is CCOc1cccc(C(=O)COc2ccc(Cl)cc2)c1.
What is the InChIKey of 2-(4-chlorophenoxy)-1-(3-ethoxyphenyl)ethanone?
The InChIKey is JZUKPPJEHOUGPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClO3/c1-2-19-15-5-3-4-12(10-15)16(18)11-20-14-8-6-13(17)7-9-14/h3-10H,2,11H2,1H3.
What are the key properties of 2-(4-chlorophenoxy)-1-(3-ethoxyphenyl)ethanone?
2-(4-chlorophenoxy)-1-(3-ethoxyphenyl)ethanone has a molecular weight of 290.75 g/mol, XLogP of 4.00, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-1-(3-ethoxyphenyl)ethanone is sourced from PubChem (CID 105122407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).