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

C15H12Cl2O3 — CID 43412670

IUPAC1-(2,4-dichlorophenyl)-2-(3-methoxyphenoxy)ethanone
SMILESCOc1cccc(OCC(=O)c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C15H12Cl2O3/c1-19-11-3-2-4-12(8-11)20-9-15(18)13-6-5-10(16)7-14(13)17/h2-8H,9H2,1H3
InChIKeyNKGLQAQREDBHJY-UHFFFAOYSA-N
MW311.16 g/mol
LogP4.26
Rot. Bonds5

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

1-(2,4-dichlorophenyl)-2-(3-methoxyphenoxy)ethanone (PubChem CID 43412670) has the molecular formula C15H12Cl2O3 and a molecular weight of 311.16 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-2-(3-methoxyphenoxy)ethanone.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-2-(3-methoxyphenoxy)ethanone
PubChem CID43412670
Molecular FormulaC15H12Cl2O3
Molecular Weight311.16 g/mol
Exact Mass310.02
IUPAC Name1-(2,4-dichlorophenyl)-2-(3-methoxyphenoxy)ethanone
SMILESCOc1cccc(OCC(=O)c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C15H12Cl2O3/c1-19-11-3-2-4-12(8-11)20-9-15(18)13-6-5-10(16)7-14(13)17/h2-8H,9H2,1H3
InChIKeyNKGLQAQREDBHJY-UHFFFAOYSA-N
XLogP4.26
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.16
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-dichlorophenyl)-2-(3-ethoxyphenoxy)ethanone
CID 62335593
1-(4-chlorophenyl)-2-(3-methoxyphenoxy)ethanone
CID 43412672
1-(2-chlorophenyl)-2-(3,5-dimethoxyphenoxy)ethanone
CID 43411968
2-(4-bromo-3-methylphenoxy)-1-(2,4-dichlorophenyl)ethanone
CID 83140733
N-[2-(2,4-dichlorophenyl)ethyl]-2-(3-methoxyphenoxy)acetamide
CID 112977363
1-(2,4-dichlorophenyl)-2-(2,4,6-trichlorophenoxy)ethanone
CID 2302578
1-(2,6-difluorophenyl)-2-(3-methoxyphenoxy)ethanone
CID 43222244
4-[2-(2,4-dichlorophenyl)-2-oxoethoxy]benzonitrile
CID 7818712
2-(3-chlorophenoxy)-1-(2,4-difluorophenyl)ethanone
CID 60656400
1-(2,4-dichlorophenyl)-2-(2-phenoxyethoxy)ethanone
CID 43798625
2-(3-chlorophenoxy)-1-(2,5-dimethylthiophen-3-yl)ethanone
CID 60662425
3-[[3-[2-(2,4-dichlorophenyl)-2-oxoethoxy]phenyl]methyl]-1H-pyridazin-6-one
CID 11728835

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-2-(3-methoxyphenoxy)ethanone?
The IUPAC name of 1-(2,4-dichlorophenyl)-2-(3-methoxyphenoxy)ethanone (CID 43412670) is 1-(2,4-dichlorophenyl)-2-(3-methoxyphenoxy)ethanone.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-2-(3-methoxyphenoxy)ethanone?
The canonical SMILES for 1-(2,4-dichlorophenyl)-2-(3-methoxyphenoxy)ethanone is COc1cccc(OCC(=O)c2ccc(Cl)cc2Cl)c1.
What is the InChIKey of 1-(2,4-dichlorophenyl)-2-(3-methoxyphenoxy)ethanone?
The InChIKey is NKGLQAQREDBHJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2O3/c1-19-11-3-2-4-12(8-11)20-9-15(18)13-6-5-10(16)7-14(13)17/h2-8H,9H2,1H3.
What are the key properties of 1-(2,4-dichlorophenyl)-2-(3-methoxyphenoxy)ethanone?
1-(2,4-dichlorophenyl)-2-(3-methoxyphenoxy)ethanone has a molecular weight of 311.16 g/mol, XLogP of 4.26, 5 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-methoxyphenoxy)ethanone is sourced from PubChem (CID 43412670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).