2-(2,4-dichlorophenyl)propane-1,3-diol

C9H10Cl2O2 — CID 15036421

IUPAC2-(2,4-dichlorophenyl)propane-1,3-diol
SMILESOCC(CO)c1ccc(Cl)cc1Cl
InChIInChI=1S/C9H10Cl2O2/c10-7-1-2-8(9(11)3-7)6(4-12)5-13/h1-3,6,12-13H,4-5H2
InChIKeyHESCHJYLIIOXEN-UHFFFAOYSA-N
MW221.08 g/mol
LogP2.06
Rot. Bonds3

About 2-(2,4-dichlorophenyl)propane-1,3-diol

2-(2,4-dichlorophenyl)propane-1,3-diol (PubChem CID 15036421) has the molecular formula C9H10Cl2O2 and a molecular weight of 221.08 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)propane-1,3-diol.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)propane-1,3-diol
PubChem CID15036421
Molecular FormulaC9H10Cl2O2
Molecular Weight221.08 g/mol
Exact Mass220.01
IUPAC Name2-(2,4-dichlorophenyl)propane-1,3-diol
SMILESOCC(CO)c1ccc(Cl)cc1Cl
InChIInChI=1S/C9H10Cl2O2/c10-7-1-2-8(9(11)3-7)6(4-12)5-13/h1-3,6,12-13H,4-5H2
InChIKeyHESCHJYLIIOXEN-UHFFFAOYSA-N
XLogP2.06
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.08
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(2,4-dichlorophenyl)propane-1,3-diol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)propane-1,3-diol?
The IUPAC name of 2-(2,4-dichlorophenyl)propane-1,3-diol (CID 15036421) is 2-(2,4-dichlorophenyl)propane-1,3-diol.
What is the SMILES notation for 2-(2,4-dichlorophenyl)propane-1,3-diol?
The canonical SMILES for 2-(2,4-dichlorophenyl)propane-1,3-diol is OCC(CO)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichlorophenyl)propane-1,3-diol?
The InChIKey is HESCHJYLIIOXEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2O2/c10-7-1-2-8(9(11)3-7)6(4-12)5-13/h1-3,6,12-13H,4-5H2.
What are the key properties of 2-(2,4-dichlorophenyl)propane-1,3-diol?
2-(2,4-dichlorophenyl)propane-1,3-diol has a molecular weight of 221.08 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)propane-1,3-diol is sourced from PubChem (CID 15036421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).