1-(4-chlorophenyl)-2-(2,6-dichlorophenyl)ethanone

C14H9Cl3O — CID 63411340

IUPAC1-(4-chlorophenyl)-2-(2,6-dichlorophenyl)ethanone
SMILESO=C(Cc1c(Cl)cccc1Cl)c1ccc(Cl)cc1
InChIInChI=1S/C14H9Cl3O/c15-10-6-4-9(5-7-10)14(18)8-11-12(16)2-1-3-13(11)17/h1-7H,8H2
InChIKeyVMCCNNSKZMKAFN-UHFFFAOYSA-N
MW299.58 g/mol
LogP5.07
Rot. Bonds3

About 1-(4-chlorophenyl)-2-(2,6-dichlorophenyl)ethanone

1-(4-chlorophenyl)-2-(2,6-dichlorophenyl)ethanone (PubChem CID 63411340) has the molecular formula C14H9Cl3O and a molecular weight of 299.58 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-(2,6-dichlorophenyl)ethanone.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-(2,6-dichlorophenyl)ethanone
PubChem CID63411340
Molecular FormulaC14H9Cl3O
Molecular Weight299.58 g/mol
Exact Mass297.97
IUPAC Name1-(4-chlorophenyl)-2-(2,6-dichlorophenyl)ethanone
SMILESO=C(Cc1c(Cl)cccc1Cl)c1ccc(Cl)cc1
InChIInChI=1S/C14H9Cl3O/c15-10-6-4-9(5-7-10)14(18)8-11-12(16)2-1-3-13(11)17/h1-7H,8H2
InChIKeyVMCCNNSKZMKAFN-UHFFFAOYSA-N
XLogP5.07
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.58
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-tert-butylphenyl)-2-(2-chloro-6-fluorophenyl)ethanone
CID 43337746
2-(2-chloro-6-fluorophenyl)-1-(4-ethylphenyl)ethanone
CID 43160436
2-(2-chloro-6-fluorophenyl)-1-(4-chloro-3-fluorophenyl)ethanone
CID 114024581
1-(3-amino-4-methylphenyl)-2-(2,6-dichlorophenyl)ethanone
CID 116550897
2-(2-chloro-6-fluorophenyl)-1-(4-ethylsulfanylphenyl)ethanone
CID 106847868
2-(2,6-dichlorophenyl)-1-(2-fluorophenyl)ethanone
CID 62500601
3-(2-chlorophenyl)-1-(4-chlorophenyl)propan-1-one
CID 86152302
1-(5-chloro-2-methylphenyl)-2-(2,6-dichlorophenyl)ethanone
CID 114966275
2-(4-chloro-2-fluorophenyl)-1-(4-chlorophenyl)ethanone
CID 114853604
N-[(4-chlorophenyl)carbamoyl]-2-(2,6-dichlorophenyl)acetamide
CID 134096998
1-(2-bromo-3,4-difluorophenyl)-2-(2,6-dichlorophenyl)ethanone
CID 107537915
2-(2,6-dichlorophenyl)-1-[3-(2-methylpropyl)phenyl]ethanone
CID 116543159

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-(2,6-dichlorophenyl)ethanone?
The IUPAC name of 1-(4-chlorophenyl)-2-(2,6-dichlorophenyl)ethanone (CID 63411340) is 1-(4-chlorophenyl)-2-(2,6-dichlorophenyl)ethanone.
What is the SMILES notation for 1-(4-chlorophenyl)-2-(2,6-dichlorophenyl)ethanone?
The canonical SMILES for 1-(4-chlorophenyl)-2-(2,6-dichlorophenyl)ethanone is O=C(Cc1c(Cl)cccc1Cl)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-(2,6-dichlorophenyl)ethanone?
The InChIKey is VMCCNNSKZMKAFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl3O/c15-10-6-4-9(5-7-10)14(18)8-11-12(16)2-1-3-13(11)17/h1-7H,8H2.
What are the key properties of 1-(4-chlorophenyl)-2-(2,6-dichlorophenyl)ethanone?
1-(4-chlorophenyl)-2-(2,6-dichlorophenyl)ethanone has a molecular weight of 299.58 g/mol, XLogP of 5.07, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-(2,6-dichlorophenyl)ethanone is sourced from PubChem (CID 63411340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).