2,3-diphenyl-1,3-dihydroindolizin-4-ium-2-ol

C20H18NO+ — CID 3367715

IUPAC2,3-diphenyl-1,3-dihydroindolizin-4-ium-2-ol
SMILESOC1(c2ccccc2)Cc2cccc[n+]2C1c1ccccc1
InChIInChI=1S/C20H18NO/c22-20(17-11-5-2-6-12-17)15-18-13-7-8-14-21(18)19(20)16-9-3-1-4-10-16/h1-14,19,22H,15H2/q+1
InChIKeyVFMVDWUMTCHNKD-UHFFFAOYSA-N
MW288.37 g/mol
LogP3.01
Rot. Bonds2

About 2,3-diphenyl-1,3-dihydroindolizin-4-ium-2-ol

2,3-diphenyl-1,3-dihydroindolizin-4-ium-2-ol (PubChem CID 3367715) has the molecular formula C20H18NO+ and a molecular weight of 288.37 g/mol. Its IUPAC name is 2,3-diphenyl-1,3-dihydroindolizin-4-ium-2-ol.

Molecular Properties

Compound Name2,3-diphenyl-1,3-dihydroindolizin-4-ium-2-ol
PubChem CID3367715
Molecular FormulaC20H18NO+
Molecular Weight288.37 g/mol
Exact Mass288.14
IUPAC Name2,3-diphenyl-1,3-dihydroindolizin-4-ium-2-ol
SMILESOC1(c2ccccc2)Cc2cccc[n+]2C1c1ccccc1
InChIInChI=1S/C20H18NO/c22-20(17-11-5-2-6-12-17)15-18-13-7-8-14-21(18)19(20)16-9-3-1-4-10-16/h1-14,19,22H,15H2/q+1
InChIKeyVFMVDWUMTCHNKD-UHFFFAOYSA-N
XLogP3.01
TPSA24.11 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3-diphenyl-1,3-dihydroindolizin-4-ium-2-ol?
The IUPAC name of 2,3-diphenyl-1,3-dihydroindolizin-4-ium-2-ol (CID 3367715) is 2,3-diphenyl-1,3-dihydroindolizin-4-ium-2-ol.
What is the SMILES notation for 2,3-diphenyl-1,3-dihydroindolizin-4-ium-2-ol?
The canonical SMILES for 2,3-diphenyl-1,3-dihydroindolizin-4-ium-2-ol is OC1(c2ccccc2)Cc2cccc[n+]2C1c1ccccc1.
What is the InChIKey of 2,3-diphenyl-1,3-dihydroindolizin-4-ium-2-ol?
The InChIKey is VFMVDWUMTCHNKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18NO/c22-20(17-11-5-2-6-12-17)15-18-13-7-8-14-21(18)19(20)16-9-3-1-4-10-16/h1-14,19,22H,15H2/q+1.
What are the key properties of 2,3-diphenyl-1,3-dihydroindolizin-4-ium-2-ol?
2,3-diphenyl-1,3-dihydroindolizin-4-ium-2-ol has a molecular weight of 288.37 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diphenyl-1,3-dihydroindolizin-4-ium-2-ol is sourced from PubChem (CID 3367715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).