1-(2,4-dichlorophenyl)-2-(3-ethoxyphenoxy)ethanone

C16H14Cl2O3 — CID 62335593

IUPAC1-(2,4-dichlorophenyl)-2-(3-ethoxyphenoxy)ethanone
SMILESCCOc1cccc(OCC(=O)c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C16H14Cl2O3/c1-2-20-12-4-3-5-13(9-12)21-10-16(19)14-7-6-11(17)8-15(14)18/h3-9H,2,10H2,1H3
InChIKeyVCPZHSNGIQAKNX-UHFFFAOYSA-N
MW325.19 g/mol
LogP4.65
Rot. Bonds6

About 1-(2,4-dichlorophenyl)-2-(3-ethoxyphenoxy)ethanone

1-(2,4-dichlorophenyl)-2-(3-ethoxyphenoxy)ethanone (PubChem CID 62335593) has the molecular formula C16H14Cl2O3 and a molecular weight of 325.19 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-2-(3-ethoxyphenoxy)ethanone.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-2-(3-ethoxyphenoxy)ethanone
PubChem CID62335593
Molecular FormulaC16H14Cl2O3
Molecular Weight325.19 g/mol
Exact Mass324.03
IUPAC Name1-(2,4-dichlorophenyl)-2-(3-ethoxyphenoxy)ethanone
SMILESCCOc1cccc(OCC(=O)c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C16H14Cl2O3/c1-2-20-12-4-3-5-13(9-12)21-10-16(19)14-7-6-11(17)8-15(14)18/h3-9H,2,10H2,1H3
InChIKeyVCPZHSNGIQAKNX-UHFFFAOYSA-N
XLogP4.65
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.19
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-dichlorophenyl)-2-(3-methoxyphenoxy)ethanone
CID 43412670
1-(2,5-dichlorophenyl)-2-(4-ethoxyphenoxy)ethanone
CID 43411639
2,4-dichloro-N'-(3-ethoxybenzoyl)benzohydrazide
CID 4957514
2-(4-chlorophenoxy)-1-(3-ethoxyphenyl)ethanone
CID 105122407
1-(2,4-dimethylphenyl)-2-(3-ethoxyphenoxy)ethanone
CID 62338468
2-(4-bromo-3-methylphenoxy)-1-(2,4-dichlorophenyl)ethanone
CID 83140733
2-(3-chlorophenoxy)-1-(2,4-difluorophenyl)ethanone
CID 60656400
2-(3-chlorophenoxy)-1-(2,5-dimethylthiophen-3-yl)ethanone
CID 60662425
1-(2,4-dichlorophenyl)-2-(2,4,6-trichlorophenoxy)ethanone
CID 2302578
2-(3-chlorophenoxy)-1-(2-methylphenyl)ethanone
CID 60975454
4-[2-(2,4-dichlorophenyl)-2-oxoethoxy]benzonitrile
CID 7818712
1-(2,4-dichlorophenyl)-2-(2-propan-2-ylphenoxy)ethanone
CID 43413856

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-2-(3-ethoxyphenoxy)ethanone?
The IUPAC name of 1-(2,4-dichlorophenyl)-2-(3-ethoxyphenoxy)ethanone (CID 62335593) is 1-(2,4-dichlorophenyl)-2-(3-ethoxyphenoxy)ethanone.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-2-(3-ethoxyphenoxy)ethanone?
The canonical SMILES for 1-(2,4-dichlorophenyl)-2-(3-ethoxyphenoxy)ethanone is CCOc1cccc(OCC(=O)c2ccc(Cl)cc2Cl)c1.
What is the InChIKey of 1-(2,4-dichlorophenyl)-2-(3-ethoxyphenoxy)ethanone?
The InChIKey is VCPZHSNGIQAKNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2O3/c1-2-20-12-4-3-5-13(9-12)21-10-16(19)14-7-6-11(17)8-15(14)18/h3-9H,2,10H2,1H3.
What are the key properties of 1-(2,4-dichlorophenyl)-2-(3-ethoxyphenoxy)ethanone?
1-(2,4-dichlorophenyl)-2-(3-ethoxyphenoxy)ethanone has a molecular weight of 325.19 g/mol, XLogP of 4.65, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-2-(3-ethoxyphenoxy)ethanone is sourced from PubChem (CID 62335593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).