3-(3-chloroprop-1-enoxy)propane-1,2-diol

C6H11ClO3 — CID 174905272

IUPAC3-(3-chloroprop-1-enoxy)propane-1,2-diol
SMILESOCC(O)COC=CCCl
InChIInChI=1S/C6H11ClO3/c7-2-1-3-10-5-6(9)4-8/h1,3,6,8-9H,2,4-5H2
InChIKeyHAZUABOHJDLGQF-UHFFFAOYSA-N
MW166.60 g/mol
LogP0.11
Rot. Bonds5

About 3-(3-chloroprop-1-enoxy)propane-1,2-diol

3-(3-chloroprop-1-enoxy)propane-1,2-diol (PubChem CID 174905272) has the molecular formula C6H11ClO3 and a molecular weight of 166.60 g/mol. Its IUPAC name is 3-(3-chloroprop-1-enoxy)propane-1,2-diol.

Molecular Properties

Compound Name3-(3-chloroprop-1-enoxy)propane-1,2-diol
PubChem CID174905272
Molecular FormulaC6H11ClO3
Molecular Weight166.60 g/mol
Exact Mass166.04
IUPAC Name3-(3-chloroprop-1-enoxy)propane-1,2-diol
SMILESOCC(O)COC=CCCl
InChIInChI=1S/C6H11ClO3/c7-2-1-3-10-5-6(9)4-8/h1,3,6,8-9H,2,4-5H2
InChIKeyHAZUABOHJDLGQF-UHFFFAOYSA-N
XLogP0.11
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.60
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chloroprop-1-enoxy)propane-1,2-diol?
The IUPAC name of 3-(3-chloroprop-1-enoxy)propane-1,2-diol (CID 174905272) is 3-(3-chloroprop-1-enoxy)propane-1,2-diol.
What is the SMILES notation for 3-(3-chloroprop-1-enoxy)propane-1,2-diol?
The canonical SMILES for 3-(3-chloroprop-1-enoxy)propane-1,2-diol is OCC(O)COC=CCCl.
What is the InChIKey of 3-(3-chloroprop-1-enoxy)propane-1,2-diol?
The InChIKey is HAZUABOHJDLGQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11ClO3/c7-2-1-3-10-5-6(9)4-8/h1,3,6,8-9H,2,4-5H2.
What are the key properties of 3-(3-chloroprop-1-enoxy)propane-1,2-diol?
3-(3-chloroprop-1-enoxy)propane-1,2-diol has a molecular weight of 166.60 g/mol, XLogP of 0.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloroprop-1-enoxy)propane-1,2-diol is sourced from PubChem (CID 174905272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).