chloroform;propane-1,2-diol

C4H9Cl3O2 — CID 159626759

IUPACchloroform;propane-1,2-diol
SMILESCC(O)CO.ClC(Cl)Cl
InChIInChI=1S/C3H8O2.CHCl3/c1-3(5)2-4;2-1(3)4/h3-5H,2H2,1H3;1H
InChIKeyMOPCBQOJRGPTOF-UHFFFAOYSA-N
MW195.47 g/mol
LogP1.35
Rot. Bonds1

About chloroform;propane-1,2-diol

chloroform;propane-1,2-diol (PubChem CID 159626759) has the molecular formula C4H9Cl3O2 and a molecular weight of 195.47 g/mol. Its IUPAC name is chloroform;propane-1,2-diol.

Molecular Properties

Compound Namechloroform;propane-1,2-diol
PubChem CID159626759
Molecular FormulaC4H9Cl3O2
Molecular Weight195.47 g/mol
Exact Mass193.97
IUPAC Namechloroform;propane-1,2-diol
SMILESCC(O)CO.ClC(Cl)Cl
InChIInChI=1S/C3H8O2.CHCl3/c1-3(5)2-4;2-1(3)4/h3-5H,2H2,1H3;1H
InChIKeyMOPCBQOJRGPTOF-UHFFFAOYSA-N
XLogP1.35
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.47
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

propane-1,2-diol
CID 23506506
CID 160650971
CID 160650971
propane-1,2-diol;silver
CID 158521790
propane-1,2-diol;trihydrochloride;dihydrofluoride
CID 174772875
chloroform;2-methylpropan-1-ol
CID 22625576
methanol;propane-1,2-diol;hydrochloride
CID 88632623
CID 158929584
CID 158929584
methoxymethane;propane-1,2-diol
CID 23435252
propane-1,2-diol;1,1,2,2-tetrafluoroethene
CID 174777178
ethane-1,2-diol;methane;propane-1,2-diol
CID 157128213
nitroxyl;propane-1,2-diol
CID 175455323
CID 87205903
CID 87205903

Frequently Asked Questions

What is the IUPAC name of chloroform;propane-1,2-diol?
The IUPAC name of chloroform;propane-1,2-diol (CID 159626759) is chloroform;propane-1,2-diol.
What is the SMILES notation for chloroform;propane-1,2-diol?
The canonical SMILES for chloroform;propane-1,2-diol is CC(O)CO.ClC(Cl)Cl.
What is the InChIKey of chloroform;propane-1,2-diol?
The InChIKey is MOPCBQOJRGPTOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8O2.CHCl3/c1-3(5)2-4;2-1(3)4/h3-5H,2H2,1H3;1H.
What are the key properties of chloroform;propane-1,2-diol?
chloroform;propane-1,2-diol has a molecular weight of 195.47 g/mol, XLogP of 1.35, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chloroform;propane-1,2-diol is sourced from PubChem (CID 159626759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).