ethane-1,2-diol;hydrochloride

C2H7ClO2 — CID 19991664

IUPACethane-1,2-diol;hydrochloride
SMILESCl.OCCO
InChIInChI=1S/C2H6O2.ClH/c3-1-2-4;/h3-4H,1-2H2;1H
InChIKeyOASOQJKCZXXDMI-UHFFFAOYSA-N
MW98.53 g/mol
LogP-0.61
Rot. Bonds1

About ethane-1,2-diol;hydrochloride

ethane-1,2-diol;hydrochloride (PubChem CID 19991664) has the molecular formula C2H7ClO2 and a molecular weight of 98.53 g/mol. Its IUPAC name is ethane-1,2-diol;hydrochloride.

Molecular Properties

Compound Nameethane-1,2-diol;hydrochloride
PubChem CID19991664
Molecular FormulaC2H7ClO2
Molecular Weight98.53 g/mol
Exact Mass98.01
IUPAC Nameethane-1,2-diol;hydrochloride
SMILESCl.OCCO
InChIInChI=1S/C2H6O2.ClH/c3-1-2-4;/h3-4H,1-2H2;1H
InChIKeyOASOQJKCZXXDMI-UHFFFAOYSA-N
XLogP-0.61
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.53
LogP ≤ 5-0.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane-1,2-diol;hydrochloride?
The IUPAC name of ethane-1,2-diol;hydrochloride (CID 19991664) is ethane-1,2-diol;hydrochloride.
What is the SMILES notation for ethane-1,2-diol;hydrochloride?
The canonical SMILES for ethane-1,2-diol;hydrochloride is Cl.OCCO.
What is the InChIKey of ethane-1,2-diol;hydrochloride?
The InChIKey is OASOQJKCZXXDMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6O2.ClH/c3-1-2-4;/h3-4H,1-2H2;1H.
What are the key properties of ethane-1,2-diol;hydrochloride?
ethane-1,2-diol;hydrochloride has a molecular weight of 98.53 g/mol, XLogP of -0.61, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,2-diol;hydrochloride is sourced from PubChem (CID 19991664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).