1-(4-chloro-3-methoxyphenyl)-2-(3-chlorophenoxy)ethanone

C15H12Cl2O3 — CID 105113829

IUPAC1-(4-chloro-3-methoxyphenyl)-2-(3-chlorophenoxy)ethanone
SMILESCOc1cc(C(=O)COc2cccc(Cl)c2)ccc1Cl
InChIInChI=1S/C15H12Cl2O3/c1-19-15-7-10(5-6-13(15)17)14(18)9-20-12-4-2-3-11(16)8-12/h2-8H,9H2,1H3
InChIKeyCKXYPQZTKXWVSO-UHFFFAOYSA-N
MW311.16 g/mol
LogP4.26
Rot. Bonds5

About 1-(4-chloro-3-methoxyphenyl)-2-(3-chlorophenoxy)ethanone

1-(4-chloro-3-methoxyphenyl)-2-(3-chlorophenoxy)ethanone (PubChem CID 105113829) has the molecular formula C15H12Cl2O3 and a molecular weight of 311.16 g/mol. Its IUPAC name is 1-(4-chloro-3-methoxyphenyl)-2-(3-chlorophenoxy)ethanone.

Molecular Properties

Compound Name1-(4-chloro-3-methoxyphenyl)-2-(3-chlorophenoxy)ethanone
PubChem CID105113829
Molecular FormulaC15H12Cl2O3
Molecular Weight311.16 g/mol
Exact Mass310.02
IUPAC Name1-(4-chloro-3-methoxyphenyl)-2-(3-chlorophenoxy)ethanone
SMILESCOc1cc(C(=O)COc2cccc(Cl)c2)ccc1Cl
InChIInChI=1S/C15H12Cl2O3/c1-19-15-7-10(5-6-13(15)17)14(18)9-20-12-4-2-3-11(16)8-12/h2-8H,9H2,1H3
InChIKeyCKXYPQZTKXWVSO-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

2-(3-chlorophenoxy)-1-(4-fluoro-3-methylphenyl)ethanone
CID 105095876
1-(4-chlorophenyl)-2-(3-methoxyphenoxy)ethanone
CID 43412672
1-(3-fluoro-4-methoxyphenyl)-2-(3-methoxyphenoxy)ethanone
CID 43220187
2-(4-chlorophenoxy)-1-(3-ethoxyphenyl)ethanone
CID 105122407
1-(3-chlorophenyl)-2-(2-methoxy-4-methylphenoxy)ethanone
CID 43413925
2-(3-chlorophenoxy)-1-(3-methoxypyrazin-2-yl)ethanone
CID 105126893
lithium 2-(3-chlorophenoxy)acetate
CID 19205694
1-(2,4-dichlorophenyl)-2-(3-methoxyphenoxy)ethanone
CID 43412670
2-(3-chlorophenoxy)-N-[1-(3,4-dimethoxyphenyl)ethylideneamino]acetamide
CID 2853275
2-(3-chlorophenoxy)-1-(2-methylphenyl)ethanone
CID 60975454
2-(4-bromophenoxy)-1-(3-chloro-4-methoxyphenyl)ethanone
CID 60659477
1-(4-chloro-3-methoxyphenyl)pentan-1-one
CID 79701046

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-methoxyphenyl)-2-(3-chlorophenoxy)ethanone?
The IUPAC name of 1-(4-chloro-3-methoxyphenyl)-2-(3-chlorophenoxy)ethanone (CID 105113829) is 1-(4-chloro-3-methoxyphenyl)-2-(3-chlorophenoxy)ethanone.
What is the SMILES notation for 1-(4-chloro-3-methoxyphenyl)-2-(3-chlorophenoxy)ethanone?
The canonical SMILES for 1-(4-chloro-3-methoxyphenyl)-2-(3-chlorophenoxy)ethanone is COc1cc(C(=O)COc2cccc(Cl)c2)ccc1Cl.
What is the InChIKey of 1-(4-chloro-3-methoxyphenyl)-2-(3-chlorophenoxy)ethanone?
The InChIKey is CKXYPQZTKXWVSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2O3/c1-19-15-7-10(5-6-13(15)17)14(18)9-20-12-4-2-3-11(16)8-12/h2-8H,9H2,1H3.
What are the key properties of 1-(4-chloro-3-methoxyphenyl)-2-(3-chlorophenoxy)ethanone?
1-(4-chloro-3-methoxyphenyl)-2-(3-chlorophenoxy)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-(4-chloro-3-methoxyphenyl)-2-(3-chlorophenoxy)ethanone is sourced from PubChem (CID 105113829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).