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

C12H14Cl2O — CID 43175854

IUPAC1-(2,6-dichlorophenyl)-4-methylpentan-3-one
SMILESCC(C)C(=O)CCc1c(Cl)cccc1Cl
InChIInChI=1S/C12H14Cl2O/c1-8(2)12(15)7-6-9-10(13)4-3-5-11(9)14/h3-5,8H,6-7H2,1-2H3
InChIKeyUAZUXWCLGQNVAE-UHFFFAOYSA-N
MW245.15 g/mol
LogP4.15
Rot. Bonds4

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

1-(2,6-dichlorophenyl)-4-methylpentan-3-one (PubChem CID 43175854) has the molecular formula C12H14Cl2O and a molecular weight of 245.15 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)-4-methylpentan-3-one.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)-4-methylpentan-3-one
PubChem CID43175854
Molecular FormulaC12H14Cl2O
Molecular Weight245.15 g/mol
Exact Mass244.04
IUPAC Name1-(2,6-dichlorophenyl)-4-methylpentan-3-one
SMILESCC(C)C(=O)CCc1c(Cl)cccc1Cl
InChIInChI=1S/C12H14Cl2O/c1-8(2)12(15)7-6-9-10(13)4-3-5-11(9)14/h3-5,8H,6-7H2,1-2H3
InChIKeyUAZUXWCLGQNVAE-UHFFFAOYSA-N
XLogP4.15
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.15
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(2,6-dichlorophenyl)-4-methylpentan-3-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

1-(2-chlorophenyl)-4-methylpentan-3-one
CID 43370393
6-(2-chloro-6-fluorophenyl)-2-methylhexan-3-one
CID 64504064
1-(2,6-dichlorophenyl)-4,4-dimethylpentan-3-one
CID 43370354
3-(2,6-dichlorophenyl)-N-pentan-2-ylpropanamide
CID 133225006
1-(2-chloro-3-fluorophenyl)-4-methylpentan-3-one
CID 112652607
methyl 6-(2,6-dichlorophenyl)-4-oxohexanoate
CID 107902610
(2R)-2-amino-N-[2-(2,6-dichlorophenyl)ethyl]propanamide
CID 119302301
1-(2-chloro-6-fluorophenyl)-3-hydroxybutan-2-one
CID 103451311
3-(2-chloro-6-methylphenyl)propanoic acid
CID 84733648
3-amino-1-(2,6-dichlorophenyl)-4-methylhexan-2-one
CID 116552675
3-(2,6-dichlorophenyl)-N-[1-(4-ethylphenyl)ethyl]propanamide
CID 133225048
1-(3-bromophenyl)-4-methylpentan-3-one
CID 43175847

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)-4-methylpentan-3-one?
The IUPAC name of 1-(2,6-dichlorophenyl)-4-methylpentan-3-one (CID 43175854) is 1-(2,6-dichlorophenyl)-4-methylpentan-3-one.
What is the SMILES notation for 1-(2,6-dichlorophenyl)-4-methylpentan-3-one?
The canonical SMILES for 1-(2,6-dichlorophenyl)-4-methylpentan-3-one is CC(C)C(=O)CCc1c(Cl)cccc1Cl.
What is the InChIKey of 1-(2,6-dichlorophenyl)-4-methylpentan-3-one?
The InChIKey is UAZUXWCLGQNVAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2O/c1-8(2)12(15)7-6-9-10(13)4-3-5-11(9)14/h3-5,8H,6-7H2,1-2H3.
What are the key properties of 1-(2,6-dichlorophenyl)-4-methylpentan-3-one?
1-(2,6-dichlorophenyl)-4-methylpentan-3-one has a molecular weight of 245.15 g/mol, XLogP of 4.15, 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)-4-methylpentan-3-one is sourced from PubChem (CID 43175854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).