1-(2,6-dichlorophenyl)-3-(3,4-dichlorophenyl)propan-2-one

C15H10Cl4O — CID 63409363

IUPAC1-(2,6-dichlorophenyl)-3-(3,4-dichlorophenyl)propan-2-one
SMILESO=C(Cc1ccc(Cl)c(Cl)c1)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C15H10Cl4O/c16-12-2-1-3-13(17)11(12)8-10(20)6-9-4-5-14(18)15(19)7-9/h1-5,7H,6,8H2
InChIKeyXTHGCDUTLZAHSQ-UHFFFAOYSA-N
MW348.06 g/mol
LogP5.65
Rot. Bonds4

About 1-(2,6-dichlorophenyl)-3-(3,4-dichlorophenyl)propan-2-one

1-(2,6-dichlorophenyl)-3-(3,4-dichlorophenyl)propan-2-one (PubChem CID 63409363) has the molecular formula C15H10Cl4O and a molecular weight of 348.06 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)-3-(3,4-dichlorophenyl)propan-2-one.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)-3-(3,4-dichlorophenyl)propan-2-one
PubChem CID63409363
Molecular FormulaC15H10Cl4O
Molecular Weight348.06 g/mol
Exact Mass345.95
IUPAC Name1-(2,6-dichlorophenyl)-3-(3,4-dichlorophenyl)propan-2-one
SMILESO=C(Cc1ccc(Cl)c(Cl)c1)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C15H10Cl4O/c16-12-2-1-3-13(17)11(12)8-10(20)6-9-4-5-14(18)15(19)7-9/h1-5,7H,6,8H2
InChIKeyXTHGCDUTLZAHSQ-UHFFFAOYSA-N
XLogP5.65
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.06
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-aminophenyl)-3-(3,4-dichlorophenyl)propan-2-one
CID 116549406
1-(3,4-dichlorophenyl)-3-pyridin-3-ylpropan-2-one
CID 55096177
1-[2-(aminomethyl)phenyl]-3-(3,4-dichlorophenyl)propan-2-one
CID 116595878
1-(2-chloro-6-fluorophenyl)-3-(3,5-difluorophenyl)propan-2-one
CID 61496497
1-(3,4-dichlorophenyl)-3-(furan-2-yl)propan-2-one
CID 83172334
1-(3,4-dichlorophenyl)-3-thiophen-2-ylpropan-2-one
CID 62621958
1-(2-chlorophenyl)-3-(2,6-dichlorophenyl)propan-2-one
CID 63409565
1-(3,4-dichlorophenyl)-3-thiophen-3-ylpropan-2-one
CID 62622132
1-(3,4-dichlorophenyl)-3-(4-methoxyphenyl)propan-2-one
CID 39445145
1-(2-chloro-6-fluorophenyl)-3-(4-iodophenyl)propan-2-one
CID 65478707
1-(4-bromophenyl)-3-(2-chloro-6-fluorophenyl)propan-2-one
CID 61496199
1-(3,4-dichlorophenyl)-5-methylhex-5-en-2-one
CID 114473519

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)-3-(3,4-dichlorophenyl)propan-2-one?
The IUPAC name of 1-(2,6-dichlorophenyl)-3-(3,4-dichlorophenyl)propan-2-one (CID 63409363) is 1-(2,6-dichlorophenyl)-3-(3,4-dichlorophenyl)propan-2-one.
What is the SMILES notation for 1-(2,6-dichlorophenyl)-3-(3,4-dichlorophenyl)propan-2-one?
The canonical SMILES for 1-(2,6-dichlorophenyl)-3-(3,4-dichlorophenyl)propan-2-one is O=C(Cc1ccc(Cl)c(Cl)c1)Cc1c(Cl)cccc1Cl.
What is the InChIKey of 1-(2,6-dichlorophenyl)-3-(3,4-dichlorophenyl)propan-2-one?
The InChIKey is XTHGCDUTLZAHSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl4O/c16-12-2-1-3-13(17)11(12)8-10(20)6-9-4-5-14(18)15(19)7-9/h1-5,7H,6,8H2.
What are the key properties of 1-(2,6-dichlorophenyl)-3-(3,4-dichlorophenyl)propan-2-one?
1-(2,6-dichlorophenyl)-3-(3,4-dichlorophenyl)propan-2-one has a molecular weight of 348.06 g/mol, XLogP of 5.65, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)-3-(3,4-dichlorophenyl)propan-2-one is sourced from PubChem (CID 63409363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).