2-(5-chloro-2-methoxyphenyl)-1-(2,3-dichlorophenyl)ethanone

C15H11Cl3O2 — CID 114968572

IUPAC2-(5-chloro-2-methoxyphenyl)-1-(2,3-dichlorophenyl)ethanone
SMILESCOc1ccc(Cl)cc1CC(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C15H11Cl3O2/c1-20-14-6-5-10(16)7-9(14)8-13(19)11-3-2-4-12(17)15(11)18/h2-7H,8H2,1H3
InChIKeyWUOGTDUMUXURMY-UHFFFAOYSA-N
MW329.61 g/mol
LogP5.08
Rot. Bonds4

About 2-(5-chloro-2-methoxyphenyl)-1-(2,3-dichlorophenyl)ethanone

2-(5-chloro-2-methoxyphenyl)-1-(2,3-dichlorophenyl)ethanone (PubChem CID 114968572) has the molecular formula C15H11Cl3O2 and a molecular weight of 329.61 g/mol. Its IUPAC name is 2-(5-chloro-2-methoxyphenyl)-1-(2,3-dichlorophenyl)ethanone.

Molecular Properties

Compound Name2-(5-chloro-2-methoxyphenyl)-1-(2,3-dichlorophenyl)ethanone
PubChem CID114968572
Molecular FormulaC15H11Cl3O2
Molecular Weight329.61 g/mol
Exact Mass327.98
IUPAC Name2-(5-chloro-2-methoxyphenyl)-1-(2,3-dichlorophenyl)ethanone
SMILESCOc1ccc(Cl)cc1CC(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C15H11Cl3O2/c1-20-14-6-5-10(16)7-9(14)8-13(19)11-3-2-4-12(17)15(11)18/h2-7H,8H2,1H3
InChIKeyWUOGTDUMUXURMY-UHFFFAOYSA-N
XLogP5.08
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.61
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-amino-3-methoxyphenyl)-2-(5-chloro-2-methoxyphenyl)ethanone
CID 107469152
(5-chloro-2-methoxyphenyl)-(2,3-dichlorophenyl)methanone
CID 86028415
1-(4-chloro-2-fluorophenyl)-2-(5-chloro-2-methoxyphenyl)ethanone
CID 63081738
2-(4-chloro-2-fluorophenyl)-1-(2,3-dichlorophenyl)ethanone
CID 115815728
2-(5-bromo-2-methoxyphenyl)-1-(2-chlorophenyl)ethanone
CID 62098415
1-(2,5-dichlorophenyl)-2-(2-methoxyphenyl)ethanone
CID 43344620
1-(2-chlorophenyl)-2-(2-methoxyphenyl)ethanone
CID 61077883
1-(4-chloro-2-methoxyphenyl)-2-(2-chlorophenyl)ethanone
CID 55225078
2-(2,3-dichlorophenyl)-1-(2,3-dimethoxyphenyl)ethanone
CID 107311518
2,3-dichloro-N-[1-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-1-oxopropan-2-yl]benzamide
CID 55739251
1-(2-chloro-3-fluorophenyl)-2-(2-methoxyphenyl)ethanone
CID 81453841
2-(5-chloro-2-methoxyphenyl)-1-(4-methyl-3-pyridinyl)ethanone
CID 114877516

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methoxyphenyl)-1-(2,3-dichlorophenyl)ethanone?
The IUPAC name of 2-(5-chloro-2-methoxyphenyl)-1-(2,3-dichlorophenyl)ethanone (CID 114968572) is 2-(5-chloro-2-methoxyphenyl)-1-(2,3-dichlorophenyl)ethanone.
What is the SMILES notation for 2-(5-chloro-2-methoxyphenyl)-1-(2,3-dichlorophenyl)ethanone?
The canonical SMILES for 2-(5-chloro-2-methoxyphenyl)-1-(2,3-dichlorophenyl)ethanone is COc1ccc(Cl)cc1CC(=O)c1cccc(Cl)c1Cl.
What is the InChIKey of 2-(5-chloro-2-methoxyphenyl)-1-(2,3-dichlorophenyl)ethanone?
The InChIKey is WUOGTDUMUXURMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl3O2/c1-20-14-6-5-10(16)7-9(14)8-13(19)11-3-2-4-12(17)15(11)18/h2-7H,8H2,1H3.
What are the key properties of 2-(5-chloro-2-methoxyphenyl)-1-(2,3-dichlorophenyl)ethanone?
2-(5-chloro-2-methoxyphenyl)-1-(2,3-dichlorophenyl)ethanone has a molecular weight of 329.61 g/mol, XLogP of 5.08, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methoxyphenyl)-1-(2,3-dichlorophenyl)ethanone is sourced from PubChem (CID 114968572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).