1-[(2R,3R)-2-phenyl-3-pyridin-2-yloxiran-2-yl]cyclohexan-1-ol

C19H21NO2 — CID 101468005

IUPAC1-[(2R,3R)-2-phenyl-3-pyridin-2-yloxiran-2-yl]cyclohexan-1-ol
SMILESOC1([C@]2(c3ccccc3)O[C@@H]2c2ccccn2)CCCCC1
InChIInChI=1S/C19H21NO2/c21-18(12-6-2-7-13-18)19(15-9-3-1-4-10-15)17(22-19)16-11-5-8-14-20-16/h1,3-5,8-11,14,17,21H,2,6-7,12-13H2/t17-,19-/m1/s1
InChIKeyPIJXJCCBTIBSOA-IEBWSBKVSA-N
MW295.38 g/mol
LogP3.74
Rot. Bonds3

About 1-[(2R,3R)-2-phenyl-3-pyridin-2-yloxiran-2-yl]cyclohexan-1-ol

1-[(2R,3R)-2-phenyl-3-pyridin-2-yloxiran-2-yl]cyclohexan-1-ol (PubChem CID 101468005) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is 1-[(2R,3R)-2-phenyl-3-pyridin-2-yloxiran-2-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[(2R,3R)-2-phenyl-3-pyridin-2-yloxiran-2-yl]cyclohexan-1-ol
PubChem CID101468005
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name1-[(2R,3R)-2-phenyl-3-pyridin-2-yloxiran-2-yl]cyclohexan-1-ol
SMILESOC1([C@]2(c3ccccc3)O[C@@H]2c2ccccn2)CCCCC1
InChIInChI=1S/C19H21NO2/c21-18(12-6-2-7-13-18)19(15-9-3-1-4-10-15)17(22-19)16-11-5-8-14-20-16/h1,3-5,8-11,14,17,21H,2,6-7,12-13H2/t17-,19-/m1/s1
InChIKeyPIJXJCCBTIBSOA-IEBWSBKVSA-N
XLogP3.74
TPSA45.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[(2R,3R)-2-phenyl-3-pyridin-2-yloxiran-2-yl]cyclohexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,3R)-2-phenyl-3-pyridin-2-yloxiran-2-yl]cyclohexan-1-ol?
The IUPAC name of 1-[(2R,3R)-2-phenyl-3-pyridin-2-yloxiran-2-yl]cyclohexan-1-ol (CID 101468005) is 1-[(2R,3R)-2-phenyl-3-pyridin-2-yloxiran-2-yl]cyclohexan-1-ol.
What is the SMILES notation for 1-[(2R,3R)-2-phenyl-3-pyridin-2-yloxiran-2-yl]cyclohexan-1-ol?
The canonical SMILES for 1-[(2R,3R)-2-phenyl-3-pyridin-2-yloxiran-2-yl]cyclohexan-1-ol is OC1([C@]2(c3ccccc3)O[C@@H]2c2ccccn2)CCCCC1.
What is the InChIKey of 1-[(2R,3R)-2-phenyl-3-pyridin-2-yloxiran-2-yl]cyclohexan-1-ol?
The InChIKey is PIJXJCCBTIBSOA-IEBWSBKVSA-N. The full InChI is InChI=1S/C19H21NO2/c21-18(12-6-2-7-13-18)19(15-9-3-1-4-10-15)17(22-19)16-11-5-8-14-20-16/h1,3-5,8-11,14,17,21H,2,6-7,12-13H2/t17-,19-/m1/s1.
What are the key properties of 1-[(2R,3R)-2-phenyl-3-pyridin-2-yloxiran-2-yl]cyclohexan-1-ol?
1-[(2R,3R)-2-phenyl-3-pyridin-2-yloxiran-2-yl]cyclohexan-1-ol has a molecular weight of 295.38 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,3R)-2-phenyl-3-pyridin-2-yloxiran-2-yl]cyclohexan-1-ol is sourced from PubChem (CID 101468005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).