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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Related Compounds

(2R)-3-[(E)-prop-1-enoxy]propane-1,2-diol
CID 131246750
(2S)-3-[(1E,3E,5E,7E,9E)-dodeca-1,3,5,7,9-pentaenoxy]propane-1,2-diol
CID 6437067
2,3-dihydroxypropyl hypochlorite
CID 54142459
2,3-dihydroxypropyl hypobromite
CID 23618335
CID 88654281
CID 88654281
2,3-dihydroxypropyl formate;tetracyclo[2.1.0.01,3.02,5]pentane
CID 174638545
3-(2,3-dihydroxypropoxy)propane-1,2-diol;propane-1,2,3-triol
CID 87090459
(2S)-3-[(Z)-1,2-dichloroethenoxy]propane-1,2-diol
CID 119096615
3-[4-(2,3-dihydroxypropylperoxy)butylperoxy]propane-1,2-diol
CID 174669486
3-(2,3-dihydroxypropoxy)propane-1,2-diol;formic acid
CID 174848514
magnesium;3-(2,3-dihydroxypropoxy)propane-1,2-diol;dichloride
CID 174372262
3-(2,3-dihydroxypropoxymethoxy)propane-1,2-diol
CID 59854090

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).