1-(3,4-dichlorophenyl)pentane-1,4-dione

C11H10Cl2O2 — CID 43608283

IUPAC1-(3,4-dichlorophenyl)pentane-1,4-dione
SMILESCC(=O)CCC(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H10Cl2O2/c1-7(14)2-5-11(15)8-3-4-9(12)10(13)6-8/h3-4,6H,2,5H2,1H3
InChIKeyUJWMIEMLJHFDFD-UHFFFAOYSA-N
MW245.10 g/mol
LogP3.55
Rot. Bonds4

About 1-(3,4-dichlorophenyl)pentane-1,4-dione

1-(3,4-dichlorophenyl)pentane-1,4-dione (PubChem CID 43608283) has the molecular formula C11H10Cl2O2 and a molecular weight of 245.10 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)pentane-1,4-dione.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)pentane-1,4-dione
PubChem CID43608283
Molecular FormulaC11H10Cl2O2
Molecular Weight245.10 g/mol
Exact Mass244.01
IUPAC Name1-(3,4-dichlorophenyl)pentane-1,4-dione
SMILESCC(=O)CCC(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H10Cl2O2/c1-7(14)2-5-11(15)8-3-4-9(12)10(13)6-8/h3-4,6H,2,5H2,1H3
InChIKeyUJWMIEMLJHFDFD-UHFFFAOYSA-N
XLogP3.55
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.10
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(3,4-dichlorophenyl)pentane-1,4-dione 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

[3-(3,4-dichlorophenyl)-3-oxopropyl]-dimethylazanium chloride
CID 10968004
1-(3,4-dichlorophenyl)-4-methoxybutan-1-one
CID 65091899
1-(3,4-dichlorophenyl)-4-(propan-2-ylamino)butan-1-one
CID 116558293
3-(tert-butylamino)-1-(3,4-dichlorophenyl)propan-1-one
CID 116558013
1-(3,4-dichlorophenyl)-4-methylhexan-1-one
CID 166727807
1-(3,4-dichlorophenyl)-2-sulfanylethanone
CID 58957134
1-(3,4-dichlorophenyl)-3,3-dimethylbutan-1-one
CID 24724011
3-(4-chlorophenyl)-1-(3,4-dichlorophenyl)propan-1-one
CID 24726104
1-(3,4-dichlorophenyl)-3-phenylpropan-1-one
CID 18351990
1-(4-chloro-3-methylphenyl)-4-methylpent-4-en-1-one
CID 115802948
3-(3,4-dichlorophenyl)-3-oxopropanenitrile
CID 2758063
1-(3,4-dichlorophenyl)-5-(2-methoxyethoxy)pentan-1-one
CID 70626550

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)pentane-1,4-dione?
The IUPAC name of 1-(3,4-dichlorophenyl)pentane-1,4-dione (CID 43608283) is 1-(3,4-dichlorophenyl)pentane-1,4-dione.
What is the SMILES notation for 1-(3,4-dichlorophenyl)pentane-1,4-dione?
The canonical SMILES for 1-(3,4-dichlorophenyl)pentane-1,4-dione is CC(=O)CCC(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)pentane-1,4-dione?
The InChIKey is UJWMIEMLJHFDFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2O2/c1-7(14)2-5-11(15)8-3-4-9(12)10(13)6-8/h3-4,6H,2,5H2,1H3.
What are the key properties of 1-(3,4-dichlorophenyl)pentane-1,4-dione?
1-(3,4-dichlorophenyl)pentane-1,4-dione has a molecular weight of 245.10 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)pentane-1,4-dione is sourced from PubChem (CID 43608283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).