2-(2,4-dichlorophenyl)-1-(3,4-dichlorophenyl)ethanone

C14H8Cl4O — CID 63409426

IUPAC2-(2,4-dichlorophenyl)-1-(3,4-dichlorophenyl)ethanone
SMILESO=C(Cc1ccc(Cl)cc1Cl)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H8Cl4O/c15-10-3-1-8(12(17)7-10)6-14(19)9-2-4-11(16)13(18)5-9/h1-5,7H,6H2
InChIKeyCZWJKKIVSUVFNR-UHFFFAOYSA-N
MW334.03 g/mol
LogP5.73
Rot. Bonds3

About 2-(2,4-dichlorophenyl)-1-(3,4-dichlorophenyl)ethanone

2-(2,4-dichlorophenyl)-1-(3,4-dichlorophenyl)ethanone (PubChem CID 63409426) has the molecular formula C14H8Cl4O and a molecular weight of 334.03 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-1-(3,4-dichlorophenyl)ethanone.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-1-(3,4-dichlorophenyl)ethanone
PubChem CID63409426
Molecular FormulaC14H8Cl4O
Molecular Weight334.03 g/mol
Exact Mass331.93
IUPAC Name2-(2,4-dichlorophenyl)-1-(3,4-dichlorophenyl)ethanone
SMILESO=C(Cc1ccc(Cl)cc1Cl)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H8Cl4O/c15-10-3-1-8(12(17)7-10)6-14(19)9-2-4-11(16)13(18)5-9/h1-5,7H,6H2
InChIKeyCZWJKKIVSUVFNR-UHFFFAOYSA-N
XLogP5.73
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.03
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-bromo-3-chlorophenyl)-2-(2,4-dichlorophenyl)ethanone
CID 114967193
1-(3-bromo-4-fluorophenyl)-2-(2,4-dichlorophenyl)ethanone
CID 81467093
1-(3-bromo-5-chlorophenyl)-2-(2,4-dichlorophenyl)ethanone
CID 107944354
2-(2,4-dichlorophenyl)-1-(4-ethoxyphenyl)ethanone
CID 63411878
2-(2,4-dichlorophenyl)-1-(5-methylfuran-3-yl)ethanone
CID 114967171
2-(2,4-dichlorophenyl)-1-[3-(trifluoromethyl)phenyl]ethanone
CID 63411541
2-(2,4-dichlorophenyl)-1-(1,2,3,4-tetrahydroquinolin-6-yl)ethanone
CID 116554308
1-(3,4-dichlorophenyl)-2-sulfanylethanone
CID 58957134
2-(4-chloro-2-fluorophenyl)-1-(4-chlorophenyl)ethanone
CID 114853604
2-(2,5-dichlorophenyl)-1-(4-fluorophenyl)ethanone
CID 65316679
3-(4-chlorophenyl)-1-(3,4-dichlorophenyl)propan-1-one
CID 24726104
1-(3,4-dichlorophenyl)-2-(3,5-difluorophenyl)ethanone
CID 63409918

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-1-(3,4-dichlorophenyl)ethanone?
The IUPAC name of 2-(2,4-dichlorophenyl)-1-(3,4-dichlorophenyl)ethanone (CID 63409426) is 2-(2,4-dichlorophenyl)-1-(3,4-dichlorophenyl)ethanone.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-1-(3,4-dichlorophenyl)ethanone?
The canonical SMILES for 2-(2,4-dichlorophenyl)-1-(3,4-dichlorophenyl)ethanone is O=C(Cc1ccc(Cl)cc1Cl)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(2,4-dichlorophenyl)-1-(3,4-dichlorophenyl)ethanone?
The InChIKey is CZWJKKIVSUVFNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl4O/c15-10-3-1-8(12(17)7-10)6-14(19)9-2-4-11(16)13(18)5-9/h1-5,7H,6H2.
What are the key properties of 2-(2,4-dichlorophenyl)-1-(3,4-dichlorophenyl)ethanone?
2-(2,4-dichlorophenyl)-1-(3,4-dichlorophenyl)ethanone has a molecular weight of 334.03 g/mol, XLogP of 5.73, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-1-(3,4-dichlorophenyl)ethanone is sourced from PubChem (CID 63409426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).