[(2S,3R)-3-(chloromethyl)oxiran-2-yl]methanol

C4H7ClO2 — CID 55301080

IUPAC[(2S,3R)-3-(chloromethyl)oxiran-2-yl]methanol
SMILESOC[C@@H]1O[C@H]1CCl
InChIInChI=1S/C4H7ClO2/c5-1-3-4(2-6)7-3/h3-4,6H,1-2H2/t3-,4-/m0/s1
InChIKeyFHFIGKVCNSGCKY-IMJSIDKUSA-N
MW122.55 g/mol
LogP-0.02
Rot. Bonds2

About [(2S,3R)-3-(chloromethyl)oxiran-2-yl]methanol

[(2S,3R)-3-(chloromethyl)oxiran-2-yl]methanol (PubChem CID 55301080) has the molecular formula C4H7ClO2 and a molecular weight of 122.55 g/mol. Its IUPAC name is [(2S,3R)-3-(chloromethyl)oxiran-2-yl]methanol.

Molecular Properties

Compound Name[(2S,3R)-3-(chloromethyl)oxiran-2-yl]methanol
PubChem CID55301080
Molecular FormulaC4H7ClO2
Molecular Weight122.55 g/mol
Exact Mass122.01
IUPAC Name[(2S,3R)-3-(chloromethyl)oxiran-2-yl]methanol
SMILESOC[C@@H]1O[C@H]1CCl
InChIInChI=1S/C4H7ClO2/c5-1-3-4(2-6)7-3/h3-4,6H,1-2H2/t3-,4-/m0/s1
InChIKeyFHFIGKVCNSGCKY-IMJSIDKUSA-N
XLogP-0.02
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.55
LogP ≤ 5-0.02
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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Related Compounds

1-chloro-3-[3-(hydroxymethyl)oxiran-2-yl]propan-2-ol
CID 90738943
(2S,3R,4R)-2,5-bis(hydroxymethyl)oxolane-3,4-diol
CID 173365188
(2S,3R,4S,5R)-2,5-bis(hydroxymethyl)oxolane-3,4-diol
CID 69447261
(2R,3R)-2,5-bis(hydroxymethyl)oxolane-3,4-diol
CID 130395874
2-(chloromethyl)-3-(2-methylprop-2-enyl)oxirane
CID 15620965
2-(chloromethyl)-3-propyloxirane
CID 18324215
3,6-bis(chloromethyl)-1,4-dioxane-2,5-diol
CID 12659615
2,6-bis(hydroxymethyl)oxane-3,4,5-triol
CID 4670797
(2R,3S,5S,6R)-2,6-bis(hydroxymethyl)oxane-3,4,5-triol
CID 146048165
(3S,4R,5S,6S)-6-(chloromethyl)oxane-2,3,4,5-tetrol
CID 12790194
1-[3-(hydroxymethyl)oxiran-2-yl]propan-2-ol
CID 18506451
(2S,3R)-2-but-3-enyl-3-(chloromethyl)oxirane
CID 10866483

Frequently Asked Questions

What is the IUPAC name of [(2S,3R)-3-(chloromethyl)oxiran-2-yl]methanol?
The IUPAC name of [(2S,3R)-3-(chloromethyl)oxiran-2-yl]methanol (CID 55301080) is [(2S,3R)-3-(chloromethyl)oxiran-2-yl]methanol.
What is the SMILES notation for [(2S,3R)-3-(chloromethyl)oxiran-2-yl]methanol?
The canonical SMILES for [(2S,3R)-3-(chloromethyl)oxiran-2-yl]methanol is OC[C@@H]1O[C@H]1CCl.
What is the InChIKey of [(2S,3R)-3-(chloromethyl)oxiran-2-yl]methanol?
The InChIKey is FHFIGKVCNSGCKY-IMJSIDKUSA-N. The full InChI is InChI=1S/C4H7ClO2/c5-1-3-4(2-6)7-3/h3-4,6H,1-2H2/t3-,4-/m0/s1.
What are the key properties of [(2S,3R)-3-(chloromethyl)oxiran-2-yl]methanol?
[(2S,3R)-3-(chloromethyl)oxiran-2-yl]methanol has a molecular weight of 122.55 g/mol, XLogP of -0.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R)-3-(chloromethyl)oxiran-2-yl]methanol is sourced from PubChem (CID 55301080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).