butane-1,2-diol;hydrochloride

C4H11ClO2 — CID 141185193

IUPACbutane-1,2-diol;hydrochloride
SMILESCCC(O)CO.Cl
InChIInChI=1S/C4H10O2.ClH/c1-2-4(6)3-5;/h4-6H,2-3H2,1H3;1H
InChIKeyOUWYHIZTVYRLNP-UHFFFAOYSA-N
MW126.58 g/mol
LogP0.17
Rot. Bonds2

About butane-1,2-diol;hydrochloride

butane-1,2-diol;hydrochloride (PubChem CID 141185193) has the molecular formula C4H11ClO2 and a molecular weight of 126.58 g/mol. Its IUPAC name is butane-1,2-diol;hydrochloride.

Molecular Properties

Compound Namebutane-1,2-diol;hydrochloride
PubChem CID141185193
Molecular FormulaC4H11ClO2
Molecular Weight126.58 g/mol
Exact Mass126.04
IUPAC Namebutane-1,2-diol;hydrochloride
SMILESCCC(O)CO.Cl
InChIInChI=1S/C4H10O2.ClH/c1-2-4(6)3-5;/h4-6H,2-3H2,1H3;1H
InChIKeyOUWYHIZTVYRLNP-UHFFFAOYSA-N
XLogP0.17
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.58
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of butane-1,2-diol;hydrochloride?
The IUPAC name of butane-1,2-diol;hydrochloride (CID 141185193) is butane-1,2-diol;hydrochloride.
What is the SMILES notation for butane-1,2-diol;hydrochloride?
The canonical SMILES for butane-1,2-diol;hydrochloride is CCC(O)CO.Cl.
What is the InChIKey of butane-1,2-diol;hydrochloride?
The InChIKey is OUWYHIZTVYRLNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O2.ClH/c1-2-4(6)3-5;/h4-6H,2-3H2,1H3;1H.
What are the key properties of butane-1,2-diol;hydrochloride?
butane-1,2-diol;hydrochloride has a molecular weight of 126.58 g/mol, XLogP of 0.17, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butane-1,2-diol;hydrochloride is sourced from PubChem (CID 141185193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).