2-(3-methoxyphenyl)-1-(2,4,6-trichlorophenyl)ethanone

C15H11Cl3O2 — CID 105348903

IUPAC2-(3-methoxyphenyl)-1-(2,4,6-trichlorophenyl)ethanone
SMILESCOc1cccc(CC(=O)c2c(Cl)cc(Cl)cc2Cl)c1
InChIInChI=1S/C15H11Cl3O2/c1-20-11-4-2-3-9(5-11)6-14(19)15-12(17)7-10(16)8-13(15)18/h2-5,7-8H,6H2,1H3
InChIKeyDZGDCTRLOVWBPW-UHFFFAOYSA-N
MW329.61 g/mol
LogP5.08
Rot. Bonds4

About 2-(3-methoxyphenyl)-1-(2,4,6-trichlorophenyl)ethanone

2-(3-methoxyphenyl)-1-(2,4,6-trichlorophenyl)ethanone (PubChem CID 105348903) has the molecular formula C15H11Cl3O2 and a molecular weight of 329.61 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-1-(2,4,6-trichlorophenyl)ethanone.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-1-(2,4,6-trichlorophenyl)ethanone
PubChem CID105348903
Molecular FormulaC15H11Cl3O2
Molecular Weight329.61 g/mol
Exact Mass327.98
IUPAC Name2-(3-methoxyphenyl)-1-(2,4,6-trichlorophenyl)ethanone
SMILESCOc1cccc(CC(=O)c2c(Cl)cc(Cl)cc2Cl)c1
InChIInChI=1S/C15H11Cl3O2/c1-20-11-4-2-3-9(5-11)6-14(19)15-12(17)7-10(16)8-13(15)18/h2-5,7-8H,6H2,1H3
InChIKeyDZGDCTRLOVWBPW-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-(3-chloro-5-methylphenyl)-2-(3-methoxyphenyl)ethanone
CID 81324031
1-(4-chloro-2-fluorophenyl)-2-(3-methoxyphenyl)ethanone
CID 61077697
1-(4-chloro-2,5-difluorophenyl)-2-(3-methoxyphenyl)ethanone
CID 82772175
2,6-dichloro-4-[3-(3-methoxyphenyl)propanoyl]benzoic acid
CID 167567818
1-(5-chloro-2-fluorophenyl)-3-(3-methoxyphenyl)propan-2-one
CID 103047948
1-(2-hydroxy-5-methoxyphenyl)-2-(3-methoxyphenyl)ethanone
CID 121242102
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-(3-methoxyphenyl)ethanone
CID 104544556
2-(2,4-dichlorophenyl)-N-[(3-methoxyphenyl)methyl]acetamide
CID 9495803
acetamide;2-(3-methoxyphenyl)acetyl chloride
CID 158389550
1-(2-fluoro-4-methoxyphenyl)-2-(3-methoxyphenyl)ethanone
CID 43561129
1-(2-bromo-5-methoxyphenyl)-2-(3-methoxyphenyl)ethanone
CID 61079528
1-(5-bromo-2-methylphenyl)-2-(3-methoxyphenyl)ethanone
CID 65308121

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-1-(2,4,6-trichlorophenyl)ethanone?
The IUPAC name of 2-(3-methoxyphenyl)-1-(2,4,6-trichlorophenyl)ethanone (CID 105348903) is 2-(3-methoxyphenyl)-1-(2,4,6-trichlorophenyl)ethanone.
What is the SMILES notation for 2-(3-methoxyphenyl)-1-(2,4,6-trichlorophenyl)ethanone?
The canonical SMILES for 2-(3-methoxyphenyl)-1-(2,4,6-trichlorophenyl)ethanone is COc1cccc(CC(=O)c2c(Cl)cc(Cl)cc2Cl)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-1-(2,4,6-trichlorophenyl)ethanone?
The InChIKey is DZGDCTRLOVWBPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl3O2/c1-20-11-4-2-3-9(5-11)6-14(19)15-12(17)7-10(16)8-13(15)18/h2-5,7-8H,6H2,1H3.
What are the key properties of 2-(3-methoxyphenyl)-1-(2,4,6-trichlorophenyl)ethanone?
2-(3-methoxyphenyl)-1-(2,4,6-trichlorophenyl)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-(3-methoxyphenyl)-1-(2,4,6-trichlorophenyl)ethanone is sourced from PubChem (CID 105348903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).