1-chloro-3-(oxiran-2-yl)propan-2-ol

C5H9ClO2 — CID 24755102

IUPAC1-chloro-3-(oxiran-2-yl)propan-2-ol
SMILESOC(CCl)CC1CO1
InChIInChI=1S/C5H9ClO2/c6-2-4(7)1-5-3-8-5/h4-5,7H,1-3H2
InChIKeyZDSLEKQPGDGPEE-UHFFFAOYSA-N
MW136.58 g/mol
LogP0.38
Rot. Bonds3

About 1-chloro-3-(oxiran-2-yl)propan-2-ol

1-chloro-3-(oxiran-2-yl)propan-2-ol (PubChem CID 24755102) has the molecular formula C5H9ClO2 and a molecular weight of 136.58 g/mol. Its IUPAC name is 1-chloro-3-(oxiran-2-yl)propan-2-ol.

Molecular Properties

Compound Name1-chloro-3-(oxiran-2-yl)propan-2-ol
PubChem CID24755102
Molecular FormulaC5H9ClO2
Molecular Weight136.58 g/mol
Exact Mass136.03
IUPAC Name1-chloro-3-(oxiran-2-yl)propan-2-ol
SMILESOC(CCl)CC1CO1
InChIInChI=1S/C5H9ClO2/c6-2-4(7)1-5-3-8-5/h4-5,7H,1-3H2
InChIKeyZDSLEKQPGDGPEE-UHFFFAOYSA-N
XLogP0.38
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.58
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-(oxiran-2-yl)propan-2-ol?
The IUPAC name of 1-chloro-3-(oxiran-2-yl)propan-2-ol (CID 24755102) is 1-chloro-3-(oxiran-2-yl)propan-2-ol.
What is the SMILES notation for 1-chloro-3-(oxiran-2-yl)propan-2-ol?
The canonical SMILES for 1-chloro-3-(oxiran-2-yl)propan-2-ol is OC(CCl)CC1CO1.
What is the InChIKey of 1-chloro-3-(oxiran-2-yl)propan-2-ol?
The InChIKey is ZDSLEKQPGDGPEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9ClO2/c6-2-4(7)1-5-3-8-5/h4-5,7H,1-3H2.
What are the key properties of 1-chloro-3-(oxiran-2-yl)propan-2-ol?
1-chloro-3-(oxiran-2-yl)propan-2-ol has a molecular weight of 136.58 g/mol, XLogP of 0.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-(oxiran-2-yl)propan-2-ol is sourced from PubChem (CID 24755102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).