(1R)-1-chloroethane-1,2-diol

C2H5ClO2 — CID 173477166

IUPAC(1R)-1-chloroethane-1,2-diol
SMILESOC[C@H](O)Cl
InChIInChI=1S/C2H5ClO2/c3-2(5)1-4/h2,4-5H,1H2/t2-/m0/s1
InChIKeyVVKFXODVPQSIHU-REOHCLBHSA-N
MW96.51 g/mol
LogP-0.46
Rot. Bonds1

About (1R)-1-chloroethane-1,2-diol

(1R)-1-chloroethane-1,2-diol (PubChem CID 173477166) has the molecular formula C2H5ClO2 and a molecular weight of 96.51 g/mol. Its IUPAC name is (1R)-1-chloroethane-1,2-diol.

Molecular Properties

Compound Name(1R)-1-chloroethane-1,2-diol
PubChem CID173477166
Molecular FormulaC2H5ClO2
Molecular Weight96.51 g/mol
Exact Mass96.00
IUPAC Name(1R)-1-chloroethane-1,2-diol
SMILESOC[C@H](O)Cl
InChIInChI=1S/C2H5ClO2/c3-2(5)1-4/h2,4-5H,1H2/t2-/m0/s1
InChIKeyVVKFXODVPQSIHU-REOHCLBHSA-N
XLogP-0.46
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.51
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-chloroethane-1,2-diol?
The IUPAC name of (1R)-1-chloroethane-1,2-diol (CID 173477166) is (1R)-1-chloroethane-1,2-diol.
What is the SMILES notation for (1R)-1-chloroethane-1,2-diol?
The canonical SMILES for (1R)-1-chloroethane-1,2-diol is OC[C@H](O)Cl.
What is the InChIKey of (1R)-1-chloroethane-1,2-diol?
The InChIKey is VVKFXODVPQSIHU-REOHCLBHSA-N. The full InChI is InChI=1S/C2H5ClO2/c3-2(5)1-4/h2,4-5H,1H2/t2-/m0/s1.
What are the key properties of (1R)-1-chloroethane-1,2-diol?
(1R)-1-chloroethane-1,2-diol has a molecular weight of 96.51 g/mol, XLogP of -0.46, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-chloroethane-1,2-diol is sourced from PubChem (CID 173477166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).