3-(2,6-dichlorophenyl)-2-methyl-1-phenylpropan-1-one

C16H14Cl2O — CID 113460047

IUPAC3-(2,6-dichlorophenyl)-2-methyl-1-phenylpropan-1-one
SMILESCC(Cc1c(Cl)cccc1Cl)C(=O)c1ccccc1
InChIInChI=1S/C16H14Cl2O/c1-11(16(19)12-6-3-2-4-7-12)10-13-14(17)8-5-9-15(13)18/h2-9,11H,10H2,1H3
InChIKeyRRVQOLZGEUPJHT-UHFFFAOYSA-N
MW293.19 g/mol
LogP5.05
Rot. Bonds4

About 3-(2,6-dichlorophenyl)-2-methyl-1-phenylpropan-1-one

3-(2,6-dichlorophenyl)-2-methyl-1-phenylpropan-1-one (PubChem CID 113460047) has the molecular formula C16H14Cl2O and a molecular weight of 293.19 g/mol. Its IUPAC name is 3-(2,6-dichlorophenyl)-2-methyl-1-phenylpropan-1-one.

Molecular Properties

Compound Name3-(2,6-dichlorophenyl)-2-methyl-1-phenylpropan-1-one
PubChem CID113460047
Molecular FormulaC16H14Cl2O
Molecular Weight293.19 g/mol
Exact Mass292.04
IUPAC Name3-(2,6-dichlorophenyl)-2-methyl-1-phenylpropan-1-one
SMILESCC(Cc1c(Cl)cccc1Cl)C(=O)c1ccccc1
InChIInChI=1S/C16H14Cl2O/c1-11(16(19)12-6-3-2-4-7-12)10-13-14(17)8-5-9-15(13)18/h2-9,11H,10H2,1H3
InChIKeyRRVQOLZGEUPJHT-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

Analyze 3-(2,6-dichlorophenyl)-2-methyl-1-phenylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-benzamido-3-(2,6-dichlorophenyl)propanoic acid
CID 18186664
4-(2,6-dichlorophenyl)-2,3-dimethylbutanoic acid
CID 81009397
2-[(2,6-dichlorophenyl)methyl]propanedioic acid
CID 170895382
(2S)-3-(2-chloro-6-fluorophenyl)-2-methylpropanoic acid
CID 42327266
2-[(2-chloro-6-fluorophenyl)methyl]-1-phenylbutane-1,3-dione
CID 2765743
3-methyl-4-oxo-4-phenylbutanoic acid
CID 12559087
(3S)-3-methyl-4-oxo-4-phenylbutanoic acid
CID 51900528
3-(5-chloro-2-methoxyphenyl)-2-methyl-1-phenylpropan-1-one
CID 104844961
2-(2-chlorophenyl)-3-(2,6-dichlorophenyl)propanoic acid
CID 79439415
(2S,3S)-3-(2-chlorophenyl)-3-hydroxy-2-methyl-1-phenylpropan-1-one
CID 11846439
3-[(2,6-dichlorophenyl)methyl-methylamino]-2-methylpropanoic acid
CID 55007398
2-[1-(2,6-dichlorophenyl)propan-2-yl]cyclopropane-1-carboxylic acid
CID 83925000

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dichlorophenyl)-2-methyl-1-phenylpropan-1-one?
The IUPAC name of 3-(2,6-dichlorophenyl)-2-methyl-1-phenylpropan-1-one (CID 113460047) is 3-(2,6-dichlorophenyl)-2-methyl-1-phenylpropan-1-one.
What is the SMILES notation for 3-(2,6-dichlorophenyl)-2-methyl-1-phenylpropan-1-one?
The canonical SMILES for 3-(2,6-dichlorophenyl)-2-methyl-1-phenylpropan-1-one is CC(Cc1c(Cl)cccc1Cl)C(=O)c1ccccc1.
What is the InChIKey of 3-(2,6-dichlorophenyl)-2-methyl-1-phenylpropan-1-one?
The InChIKey is RRVQOLZGEUPJHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2O/c1-11(16(19)12-6-3-2-4-7-12)10-13-14(17)8-5-9-15(13)18/h2-9,11H,10H2,1H3.
What are the key properties of 3-(2,6-dichlorophenyl)-2-methyl-1-phenylpropan-1-one?
3-(2,6-dichlorophenyl)-2-methyl-1-phenylpropan-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 3-(2,6-dichlorophenyl)-2-methyl-1-phenylpropan-1-one is sourced from PubChem (CID 113460047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).