1-(4-chloro-2-methoxyphenyl)-2-(4-chlorophenyl)ethanone

C15H12Cl2O2 — CID 63526993

IUPAC1-(4-chloro-2-methoxyphenyl)-2-(4-chlorophenyl)ethanone
SMILESCOc1cc(Cl)ccc1C(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C15H12Cl2O2/c1-19-15-9-12(17)6-7-13(15)14(18)8-10-2-4-11(16)5-3-10/h2-7,9H,8H2,1H3
InChIKeyAABNHAYQOKNNNL-UHFFFAOYSA-N
MW295.17 g/mol
LogP4.43
Rot. Bonds4

About 1-(4-chloro-2-methoxyphenyl)-2-(4-chlorophenyl)ethanone

1-(4-chloro-2-methoxyphenyl)-2-(4-chlorophenyl)ethanone (PubChem CID 63526993) has the molecular formula C15H12Cl2O2 and a molecular weight of 295.17 g/mol. Its IUPAC name is 1-(4-chloro-2-methoxyphenyl)-2-(4-chlorophenyl)ethanone.

Molecular Properties

Compound Name1-(4-chloro-2-methoxyphenyl)-2-(4-chlorophenyl)ethanone
PubChem CID63526993
Molecular FormulaC15H12Cl2O2
Molecular Weight295.17 g/mol
Exact Mass294.02
IUPAC Name1-(4-chloro-2-methoxyphenyl)-2-(4-chlorophenyl)ethanone
SMILESCOc1cc(Cl)ccc1C(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C15H12Cl2O2/c1-19-15-9-12(17)6-7-13(15)14(18)8-10-2-4-11(16)5-3-10/h2-7,9H,8H2,1H3
InChIKeyAABNHAYQOKNNNL-UHFFFAOYSA-N
XLogP4.43
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.17
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chloro-2-methoxyphenyl)-2-(4-propan-2-ylphenyl)ethanone
CID 114968366
1-(4-chloro-2-methoxyphenyl)-2-(3,4-dimethylphenyl)ethanone
CID 63527693
1-(4-chloro-2-methoxyphenyl)propan-1-one
CID 19901195
1-(4-chloro-2-methoxyphenyl)-2-(2-chlorophenyl)ethanone
CID 55225078
methyl 3-(4-chloro-2-methoxyphenyl)-3-oxopropanoate
CID 70925530
1-(4-chloro-2-fluorophenyl)-2-(4-methoxyphenyl)ethanone
CID 61055289
2-(4-bromo-2-fluorophenyl)-1-(4-chloro-2-methoxyphenyl)ethanone
CID 114968478
2-(3-bromo-4-methoxyphenyl)-1-(5-chloro-2-methoxyphenyl)ethanone
CID 114964675
2-(3-bromo-2,6-difluorophenyl)-1-(4-chloro-2-methoxyphenyl)ethanone
CID 106266339
4-chloro-2-methoxybenzamide
CID 19741766
1-(4-bromo-2-methoxyphenyl)-2-(4-methoxyphenyl)ethanone
CID 115369376
2-(3-bromo-4-methoxyphenyl)-1-(2,5-dichlorophenyl)ethanone
CID 114964656

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-methoxyphenyl)-2-(4-chlorophenyl)ethanone?
The IUPAC name of 1-(4-chloro-2-methoxyphenyl)-2-(4-chlorophenyl)ethanone (CID 63526993) is 1-(4-chloro-2-methoxyphenyl)-2-(4-chlorophenyl)ethanone.
What is the SMILES notation for 1-(4-chloro-2-methoxyphenyl)-2-(4-chlorophenyl)ethanone?
The canonical SMILES for 1-(4-chloro-2-methoxyphenyl)-2-(4-chlorophenyl)ethanone is COc1cc(Cl)ccc1C(=O)Cc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chloro-2-methoxyphenyl)-2-(4-chlorophenyl)ethanone?
The InChIKey is AABNHAYQOKNNNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2O2/c1-19-15-9-12(17)6-7-13(15)14(18)8-10-2-4-11(16)5-3-10/h2-7,9H,8H2,1H3.
What are the key properties of 1-(4-chloro-2-methoxyphenyl)-2-(4-chlorophenyl)ethanone?
1-(4-chloro-2-methoxyphenyl)-2-(4-chlorophenyl)ethanone has a molecular weight of 295.17 g/mol, XLogP of 4.43, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-methoxyphenyl)-2-(4-chlorophenyl)ethanone is sourced from PubChem (CID 63526993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).