1-(2-chlorophenyl)propane-1,2-diol;ethane

C11H17ClO2 — CID 144705754

IUPAC1-(2-chlorophenyl)propane-1,2-diol;ethane
SMILESCC.CC(O)C(O)c1ccccc1Cl
InChIInChI=1S/C9H11ClO2.C2H6/c1-6(11)9(12)7-4-2-3-5-8(7)10;1-2/h2-6,9,11-12H,1H3;1-2H3
InChIKeyQMGFNDGNYVXHEJ-UHFFFAOYSA-N
MW216.71 g/mol
LogP2.78
Rot. Bonds2

About 1-(2-chlorophenyl)propane-1,2-diol;ethane

1-(2-chlorophenyl)propane-1,2-diol;ethane (PubChem CID 144705754) has the molecular formula C11H17ClO2 and a molecular weight of 216.71 g/mol. Its IUPAC name is 1-(2-chlorophenyl)propane-1,2-diol;ethane.

Molecular Properties

Compound Name1-(2-chlorophenyl)propane-1,2-diol;ethane
PubChem CID144705754
Molecular FormulaC11H17ClO2
Molecular Weight216.71 g/mol
Exact Mass216.09
IUPAC Name1-(2-chlorophenyl)propane-1,2-diol;ethane
SMILESCC.CC(O)C(O)c1ccccc1Cl
InChIInChI=1S/C9H11ClO2.C2H6/c1-6(11)9(12)7-4-2-3-5-8(7)10;1-2/h2-6,9,11-12H,1H3;1-2H3
InChIKeyQMGFNDGNYVXHEJ-UHFFFAOYSA-N
XLogP2.78
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.71
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(2-chlorophenyl)propane-1,2-diol;ethane 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

(1S,2R)-1-(2-chlorophenyl)propane-1,2-diol
CID 66634039
1-(2-chlorophenyl)-2,3-dimethylbutan-1-ol
CID 114980469
(1R,2R)-1-(2,3-dichlorophenyl)propane-1,2-diol;(1S,2S)-1-(2,3-dichlorophenyl)propane-1,2-diol;methane
CID 158468254
3-amino-1-(2-chlorophenyl)-2-methylpropan-1-ol
CID 60734098
1-(2-chlorophenyl)-2-methylpentan-1-ol
CID 63902435
(2S,3S)-3-(2-chlorophenyl)-3-hydroxy-2-methyl-1-phenylpropan-1-one
CID 11846439
1-(2-chlorophenyl)ethylazanium chloride
CID 160644474
2-(2-chlorophenyl)-4-methylpentan-3-ol
CID 79299181
5-(2-chlorophenyl)hexane-2,3-diol
CID 83924274
(1R,2R)-1-(2-chlorophenyl)pentane-1,2-diol
CID 137375646
(2S,3R)-2-(2-chlorophenyl)-3-hydroxybutanoic acid
CID 156875772
(1S,2S)-1-(2-fluorophenyl)propane-1,2-diol
CID 66633990

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)propane-1,2-diol;ethane?
The IUPAC name of 1-(2-chlorophenyl)propane-1,2-diol;ethane (CID 144705754) is 1-(2-chlorophenyl)propane-1,2-diol;ethane.
What is the SMILES notation for 1-(2-chlorophenyl)propane-1,2-diol;ethane?
The canonical SMILES for 1-(2-chlorophenyl)propane-1,2-diol;ethane is CC.CC(O)C(O)c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)propane-1,2-diol;ethane?
The InChIKey is QMGFNDGNYVXHEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClO2.C2H6/c1-6(11)9(12)7-4-2-3-5-8(7)10;1-2/h2-6,9,11-12H,1H3;1-2H3.
What are the key properties of 1-(2-chlorophenyl)propane-1,2-diol;ethane?
1-(2-chlorophenyl)propane-1,2-diol;ethane has a molecular weight of 216.71 g/mol, XLogP of 2.78, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)propane-1,2-diol;ethane is sourced from PubChem (CID 144705754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).