[(2R,3S)-3-phenyl-2-(triazol-2-yl)oxetan-2-yl]methanol

C12H13N3O2 — CID 10900470

IUPAC[(2R,3S)-3-phenyl-2-(triazol-2-yl)oxetan-2-yl]methanol
SMILESOC[C@]1(n2nccn2)OC[C@@H]1c1ccccc1
InChIInChI=1S/C12H13N3O2/c16-9-12(15-13-6-7-14-15)11(8-17-12)10-4-2-1-3-5-10/h1-7,11,16H,8-9H2/t11-,12+/m1/s1
InChIKeyQOMPAQDDMJXCKW-NEPJUHHUSA-N
MW231.26 g/mol
LogP0.74
Rot. Bonds3

About [(2R,3S)-3-phenyl-2-(triazol-2-yl)oxetan-2-yl]methanol

[(2R,3S)-3-phenyl-2-(triazol-2-yl)oxetan-2-yl]methanol (PubChem CID 10900470) has the molecular formula C12H13N3O2 and a molecular weight of 231.26 g/mol. Its IUPAC name is [(2R,3S)-3-phenyl-2-(triazol-2-yl)oxetan-2-yl]methanol.

Molecular Properties

Compound Name[(2R,3S)-3-phenyl-2-(triazol-2-yl)oxetan-2-yl]methanol
PubChem CID10900470
Molecular FormulaC12H13N3O2
Molecular Weight231.26 g/mol
Exact Mass231.10
IUPAC Name[(2R,3S)-3-phenyl-2-(triazol-2-yl)oxetan-2-yl]methanol
SMILESOC[C@]1(n2nccn2)OC[C@@H]1c1ccccc1
InChIInChI=1S/C12H13N3O2/c16-9-12(15-13-6-7-14-15)11(8-17-12)10-4-2-1-3-5-10/h1-7,11,16H,8-9H2/t11-,12+/m1/s1
InChIKeyQOMPAQDDMJXCKW-NEPJUHHUSA-N
XLogP0.74
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(2R,3S)-3-phenyl-2-(triazol-2-yl)oxetan-2-yl]methanol?
The IUPAC name of [(2R,3S)-3-phenyl-2-(triazol-2-yl)oxetan-2-yl]methanol (CID 10900470) is [(2R,3S)-3-phenyl-2-(triazol-2-yl)oxetan-2-yl]methanol.
What is the SMILES notation for [(2R,3S)-3-phenyl-2-(triazol-2-yl)oxetan-2-yl]methanol?
The canonical SMILES for [(2R,3S)-3-phenyl-2-(triazol-2-yl)oxetan-2-yl]methanol is OC[C@]1(n2nccn2)OC[C@@H]1c1ccccc1.
What is the InChIKey of [(2R,3S)-3-phenyl-2-(triazol-2-yl)oxetan-2-yl]methanol?
The InChIKey is QOMPAQDDMJXCKW-NEPJUHHUSA-N. The full InChI is InChI=1S/C12H13N3O2/c16-9-12(15-13-6-7-14-15)11(8-17-12)10-4-2-1-3-5-10/h1-7,11,16H,8-9H2/t11-,12+/m1/s1.
What are the key properties of [(2R,3S)-3-phenyl-2-(triazol-2-yl)oxetan-2-yl]methanol?
[(2R,3S)-3-phenyl-2-(triazol-2-yl)oxetan-2-yl]methanol has a molecular weight of 231.26 g/mol, XLogP of 0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S)-3-phenyl-2-(triazol-2-yl)oxetan-2-yl]methanol is sourced from PubChem (CID 10900470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).