5-(2,5-dichlorophenyl)-1-hydroxypentan-2-one

C11H12Cl2O2 — CID 11543297

IUPAC5-(2,5-dichlorophenyl)-1-hydroxypentan-2-one
SMILESO=C(CO)CCCc1cc(Cl)ccc1Cl
InChIInChI=1S/C11H12Cl2O2/c12-9-4-5-11(13)8(6-9)2-1-3-10(15)7-14/h4-6,14H,1-3,7H2
InChIKeyZWQVNKYUNGNZHE-UHFFFAOYSA-N
MW247.12 g/mol
LogP2.88
Rot. Bonds5

About 5-(2,5-dichlorophenyl)-1-hydroxypentan-2-one

5-(2,5-dichlorophenyl)-1-hydroxypentan-2-one (PubChem CID 11543297) has the molecular formula C11H12Cl2O2 and a molecular weight of 247.12 g/mol. Its IUPAC name is 5-(2,5-dichlorophenyl)-1-hydroxypentan-2-one.

Molecular Properties

Compound Name5-(2,5-dichlorophenyl)-1-hydroxypentan-2-one
PubChem CID11543297
Molecular FormulaC11H12Cl2O2
Molecular Weight247.12 g/mol
Exact Mass246.02
IUPAC Name5-(2,5-dichlorophenyl)-1-hydroxypentan-2-one
SMILESO=C(CO)CCCc1cc(Cl)ccc1Cl
InChIInChI=1S/C11H12Cl2O2/c12-9-4-5-11(13)8(6-9)2-1-3-10(15)7-14/h4-6,14H,1-3,7H2
InChIKeyZWQVNKYUNGNZHE-UHFFFAOYSA-N
XLogP2.88
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.12
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-(2,5-dichlorophenyl)-1-hydroxypentan-2-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

4-(2,5-dichlorophenyl)butan-1-ol
CID 65316386
5-amino-1-(2,5-dichlorophenyl)pentan-2-one
CID 116553318
1,4-dichloro-2-[2-(2,4-dichlorophenyl)ethyl]benzene
CID 173469759
7-amino-1-(2,4-dichlorophenyl)heptan-2-one
CID 116549900
1,4-dichloro-2-(3-chlorobut-3-enyl)benzene
CID 24722005
2-[4-chloro-2-(hydroxymethyl)phenyl]acetic acid
CID 69113345
1-chloro-4-(2,4-dichlorophenyl)butan-2-one
CID 20507775
3-(2,5-dichlorophenyl)propanethioamide
CID 83931369
4-amino-8-[3-(2,5-dichlorophenyl)propyl]cinnoline-3-carboxamide
CID 91536361
3-[2-(carboxymethyl)-5-chlorophenyl]propanoic acid
CID 118836350
2-[2-(2,5-dichlorophenyl)ethylsulfanyl]acetic acid
CID 28813947
1,4-dichloro-2-(4-chloropentyl)benzene
CID 65316185

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dichlorophenyl)-1-hydroxypentan-2-one?
The IUPAC name of 5-(2,5-dichlorophenyl)-1-hydroxypentan-2-one (CID 11543297) is 5-(2,5-dichlorophenyl)-1-hydroxypentan-2-one.
What is the SMILES notation for 5-(2,5-dichlorophenyl)-1-hydroxypentan-2-one?
The canonical SMILES for 5-(2,5-dichlorophenyl)-1-hydroxypentan-2-one is O=C(CO)CCCc1cc(Cl)ccc1Cl.
What is the InChIKey of 5-(2,5-dichlorophenyl)-1-hydroxypentan-2-one?
The InChIKey is ZWQVNKYUNGNZHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2O2/c12-9-4-5-11(13)8(6-9)2-1-3-10(15)7-14/h4-6,14H,1-3,7H2.
What are the key properties of 5-(2,5-dichlorophenyl)-1-hydroxypentan-2-one?
5-(2,5-dichlorophenyl)-1-hydroxypentan-2-one has a molecular weight of 247.12 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dichlorophenyl)-1-hydroxypentan-2-one is sourced from PubChem (CID 11543297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).