1,3-bis(4-chlorophenyl)-2-methylpropan-1-one

C16H14Cl2O — CID 86090557

IUPAC1,3-bis(4-chlorophenyl)-2-methylpropan-1-one
SMILESCC(Cc1ccc(Cl)cc1)C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H14Cl2O/c1-11(10-12-2-6-14(17)7-3-12)16(19)13-4-8-15(18)9-5-13/h2-9,11H,10H2,1H3
InChIKeyAWNMEMMZWQMDMJ-UHFFFAOYSA-N
MW293.19 g/mol
LogP5.05
Rot. Bonds4

About 1,3-bis(4-chlorophenyl)-2-methylpropan-1-one

1,3-bis(4-chlorophenyl)-2-methylpropan-1-one (PubChem CID 86090557) has the molecular formula C16H14Cl2O and a molecular weight of 293.19 g/mol. Its IUPAC name is 1,3-bis(4-chlorophenyl)-2-methylpropan-1-one.

Molecular Properties

Compound Name1,3-bis(4-chlorophenyl)-2-methylpropan-1-one
PubChem CID86090557
Molecular FormulaC16H14Cl2O
Molecular Weight293.19 g/mol
Exact Mass292.04
IUPAC Name1,3-bis(4-chlorophenyl)-2-methylpropan-1-one
SMILESCC(Cc1ccc(Cl)cc1)C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H14Cl2O/c1-11(10-12-2-6-14(17)7-3-12)16(19)13-4-8-15(18)9-5-13/h2-9,11H,10H2,1H3
InChIKeyAWNMEMMZWQMDMJ-UHFFFAOYSA-N
XLogP5.05
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.19
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-amino-1-(4-chlorophenyl)-2-methylbutan-1-one
CID 116594848
(4-chlorophenyl)-[4-(2,3-dimethylbut-3-enyl)phenyl]methanone
CID 143842918
4-(4-chlorophenyl)-3-methyl-4-oxobutanoic acid
CID 2874620
methyl (2S)-3-(4-chlorophenyl)-2-methylpropanoate
CID 40999700
1-(4-chlorophenyl)-3-cyclopropyl-2-methylpropan-1-one
CID 158974687
methyl 4-(4-chlorophenyl)-3-methyl-4-oxobutanoate
CID 11470505
methyl 4-(4-chlorophenyl)-3-methyl-2-oxobutanoate
CID 123596283
2-[(4-chlorophenyl)methyl]-1,3-diphenylpropane-1,3-dione
CID 102401186
1-(4-chlorophenyl)-3-(4-fluorophenyl)sulfanyl-2-methylpropan-1-one
CID 68860204
N-[3,4-bis(4-chlorophenyl)butan-2-yl]-3-(4-chlorophenyl)-2-methylpropanamide
CID 22270527
3-(4-chlorophenyl)-N-methoxy-2-methylpropanamide
CID 110618089
2-amino-3-(4-chlorophenyl)propanoic acid;3-(4-chlorophenyl)-2-methylpropanoic acid
CID 160717719

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(4-chlorophenyl)-2-methylpropan-1-one?
The IUPAC name of 1,3-bis(4-chlorophenyl)-2-methylpropan-1-one (CID 86090557) is 1,3-bis(4-chlorophenyl)-2-methylpropan-1-one.
What is the SMILES notation for 1,3-bis(4-chlorophenyl)-2-methylpropan-1-one?
The canonical SMILES for 1,3-bis(4-chlorophenyl)-2-methylpropan-1-one is CC(Cc1ccc(Cl)cc1)C(=O)c1ccc(Cl)cc1.
What is the InChIKey of 1,3-bis(4-chlorophenyl)-2-methylpropan-1-one?
The InChIKey is AWNMEMMZWQMDMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2O/c1-11(10-12-2-6-14(17)7-3-12)16(19)13-4-8-15(18)9-5-13/h2-9,11H,10H2,1H3.
What are the key properties of 1,3-bis(4-chlorophenyl)-2-methylpropan-1-one?
1,3-bis(4-chlorophenyl)-2-methylpropan-1-one has a molecular weight of 293.19 g/mol, XLogP of 5.05, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(4-chlorophenyl)-2-methylpropan-1-one is sourced from PubChem (CID 86090557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).