1-[2-chloro-4-(3-chloro-4-methoxyphenyl)phenyl]ethanone

C15H12Cl2O2 — CID 82779649

IUPAC1-[2-chloro-4-(3-chloro-4-methoxyphenyl)phenyl]ethanone
SMILESCOc1ccc(-c2ccc(C(C)=O)c(Cl)c2)cc1Cl
InChIInChI=1S/C15H12Cl2O2/c1-9(18)12-5-3-10(7-13(12)16)11-4-6-15(19-2)14(17)8-11/h3-8H,1-2H3
InChIKeyGGOMSKRPHAUBEA-UHFFFAOYSA-N
MW295.17 g/mol
LogP4.87
Rot. Bonds3

About 1-[2-chloro-4-(3-chloro-4-methoxyphenyl)phenyl]ethanone

1-[2-chloro-4-(3-chloro-4-methoxyphenyl)phenyl]ethanone (PubChem CID 82779649) has the molecular formula C15H12Cl2O2 and a molecular weight of 295.17 g/mol. Its IUPAC name is 1-[2-chloro-4-(3-chloro-4-methoxyphenyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[2-chloro-4-(3-chloro-4-methoxyphenyl)phenyl]ethanone
PubChem CID82779649
Molecular FormulaC15H12Cl2O2
Molecular Weight295.17 g/mol
Exact Mass294.02
IUPAC Name1-[2-chloro-4-(3-chloro-4-methoxyphenyl)phenyl]ethanone
SMILESCOc1ccc(-c2ccc(C(C)=O)c(Cl)c2)cc1Cl
InChIInChI=1S/C15H12Cl2O2/c1-9(18)12-5-3-10(7-13(12)16)11-4-6-15(19-2)14(17)8-11/h3-8H,1-2H3
InChIKeyGGOMSKRPHAUBEA-UHFFFAOYSA-N
XLogP4.87
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.17
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-chloro-4-(2,5-dichloro-4-methoxyphenyl)phenyl]ethanone
CID 82778971
1-[4-(4-chlorophenyl)-2-methoxyphenyl]ethanone
CID 159226869
1-[2-chloro-4-(4-propan-2-ylphenyl)phenyl]ethanone
CID 82771006
2-bromo-5-(3-chloro-4-methoxyphenyl)benzoic acid
CID 114026544
4-(3-chloro-4-methoxyphenyl)-2-nitrobenzoic acid
CID 53227527
1-[2-chloro-4-(5-methylthiophen-3-yl)phenyl]ethanone
CID 82782330
1-[2-chloro-4-(3-fluorophenyl)phenyl]ethanone
CID 82770292
1-[2-chloro-4-[3-(1-cyclohexylpiperidin-4-yl)-4-methoxyphenyl]phenyl]ethanone
CID 163426388
1-[4-(3-chloro-4-methoxyphenyl)-3-methylphenyl]ethanone
CID 24996134
2-chloro-1-methoxy-4-(4-methoxyphenyl)benzene
CID 58270167
1-[2-chloro-4-(4-fluoro-3-methylphenyl)phenyl]ethanone
CID 82769801
2-chloro-4-(4-fluoro-3-methoxyphenyl)benzoic acid
CID 53226579

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-4-(3-chloro-4-methoxyphenyl)phenyl]ethanone?
The IUPAC name of 1-[2-chloro-4-(3-chloro-4-methoxyphenyl)phenyl]ethanone (CID 82779649) is 1-[2-chloro-4-(3-chloro-4-methoxyphenyl)phenyl]ethanone.
What is the SMILES notation for 1-[2-chloro-4-(3-chloro-4-methoxyphenyl)phenyl]ethanone?
The canonical SMILES for 1-[2-chloro-4-(3-chloro-4-methoxyphenyl)phenyl]ethanone is COc1ccc(-c2ccc(C(C)=O)c(Cl)c2)cc1Cl.
What is the InChIKey of 1-[2-chloro-4-(3-chloro-4-methoxyphenyl)phenyl]ethanone?
The InChIKey is GGOMSKRPHAUBEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2O2/c1-9(18)12-5-3-10(7-13(12)16)11-4-6-15(19-2)14(17)8-11/h3-8H,1-2H3.
What are the key properties of 1-[2-chloro-4-(3-chloro-4-methoxyphenyl)phenyl]ethanone?
1-[2-chloro-4-(3-chloro-4-methoxyphenyl)phenyl]ethanone has a molecular weight of 295.17 g/mol, XLogP of 4.87, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-4-(3-chloro-4-methoxyphenyl)phenyl]ethanone is sourced from PubChem (CID 82779649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).