1-(2,6-dichlorophenyl)pentan-1-one

C11H12Cl2O — CID 83950203

IUPAC1-(2,6-dichlorophenyl)pentan-1-one
SMILESCCCCC(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C11H12Cl2O/c1-2-3-7-10(14)11-8(12)5-4-6-9(11)13/h4-6H,2-3,7H2,1H3
InChIKeyAMCIYVHHSBVTPZ-UHFFFAOYSA-N
MW231.12 g/mol
LogP4.37
Rot. Bonds4

About 1-(2,6-dichlorophenyl)pentan-1-one

1-(2,6-dichlorophenyl)pentan-1-one (PubChem CID 83950203) has the molecular formula C11H12Cl2O and a molecular weight of 231.12 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)pentan-1-one.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)pentan-1-one
PubChem CID83950203
Molecular FormulaC11H12Cl2O
Molecular Weight231.12 g/mol
Exact Mass230.03
IUPAC Name1-(2,6-dichlorophenyl)pentan-1-one
SMILESCCCCC(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C11H12Cl2O/c1-2-3-7-10(14)11-8(12)5-4-6-9(11)13/h4-6H,2-3,7H2,1H3
InChIKeyAMCIYVHHSBVTPZ-UHFFFAOYSA-N
XLogP4.37
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.12
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(2,6-dichlorophenyl)pentan-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

1-(2,6-dichlorophenyl)heptan-1-one
CID 114966663
1-(2,3,6-trichlorophenyl)pentan-1-one
CID 83950240
1-(2-chloro-6-hydroxyphenyl)butan-1-one
CID 130034391
lithium [5-(2,6-dichlorophenyl)-5-oxopentyl]phosphanide
CID 141023129
6-bromo-1-(2,6-dichlorophenyl)hexan-1-one
CID 146009476
1-(2-chlorophenyl)dodecan-1-one
CID 114963350
1-(2,6-dichlorophenyl)pent-4-yn-1-one
CID 114972777
2-chloro-6-(pentanoylamino)benzoic acid
CID 55231346
1-(2,6-dimethylphenyl)nonan-1-one
CID 114026790
1-(2-chloro-6-methoxyphenyl)-5-phosphanylpentan-1-one
CID 174476921
1-(2-chloro-6-fluorophenyl)-4-methoxybutan-1-one
CID 115815531
1-(6-pentanoyl-2-pyridinyl)pentan-1-one
CID 169018185

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)pentan-1-one?
The IUPAC name of 1-(2,6-dichlorophenyl)pentan-1-one (CID 83950203) is 1-(2,6-dichlorophenyl)pentan-1-one.
What is the SMILES notation for 1-(2,6-dichlorophenyl)pentan-1-one?
The canonical SMILES for 1-(2,6-dichlorophenyl)pentan-1-one is CCCCC(=O)c1c(Cl)cccc1Cl.
What is the InChIKey of 1-(2,6-dichlorophenyl)pentan-1-one?
The InChIKey is AMCIYVHHSBVTPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2O/c1-2-3-7-10(14)11-8(12)5-4-6-9(11)13/h4-6H,2-3,7H2,1H3.
What are the key properties of 1-(2,6-dichlorophenyl)pentan-1-one?
1-(2,6-dichlorophenyl)pentan-1-one has a molecular weight of 231.12 g/mol, XLogP of 4.37, 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)pentan-1-one is sourced from PubChem (CID 83950203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).