3-(2-phenylethyliminomethyl)-1H-indol-2-ol

C17H16N2O — CID 2859755

IUPAC3-(2-phenylethyliminomethyl)-1H-indol-2-ol
SMILESOc1[nH]c2ccccc2c1/C=N/CCc1ccccc1
InChIInChI=1S/C17H16N2O/c20-17-15(14-8-4-5-9-16(14)19-17)12-18-11-10-13-6-2-1-3-7-13/h1-9,12,19-20H,10-11H2/b18-12+
InChIKeyJPBDKEYMRCCTFG-LDADJPATSA-N
MW264.33 g/mol
LogP3.54
Rot. Bonds4

About 3-(2-phenylethyliminomethyl)-1H-indol-2-ol

3-(2-phenylethyliminomethyl)-1H-indol-2-ol (PubChem CID 2859755) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is 3-(2-phenylethyliminomethyl)-1H-indol-2-ol.

Molecular Properties

Compound Name3-(2-phenylethyliminomethyl)-1H-indol-2-ol
PubChem CID2859755
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC Name3-(2-phenylethyliminomethyl)-1H-indol-2-ol
SMILESOc1[nH]c2ccccc2c1/C=N/CCc1ccccc1
InChIInChI=1S/C17H16N2O/c20-17-15(14-8-4-5-9-16(14)19-17)12-18-11-10-13-6-2-1-3-7-13/h1-9,12,19-20H,10-11H2/b18-12+
InChIKeyJPBDKEYMRCCTFG-LDADJPATSA-N
XLogP3.54
TPSA48.38 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-phenylethyliminomethyl)-1H-indol-2-ol?
The IUPAC name of 3-(2-phenylethyliminomethyl)-1H-indol-2-ol (CID 2859755) is 3-(2-phenylethyliminomethyl)-1H-indol-2-ol.
What is the SMILES notation for 3-(2-phenylethyliminomethyl)-1H-indol-2-ol?
The canonical SMILES for 3-(2-phenylethyliminomethyl)-1H-indol-2-ol is Oc1[nH]c2ccccc2c1/C=N/CCc1ccccc1.
What is the InChIKey of 3-(2-phenylethyliminomethyl)-1H-indol-2-ol?
The InChIKey is JPBDKEYMRCCTFG-LDADJPATSA-N. The full InChI is InChI=1S/C17H16N2O/c20-17-15(14-8-4-5-9-16(14)19-17)12-18-11-10-13-6-2-1-3-7-13/h1-9,12,19-20H,10-11H2/b18-12+.
What are the key properties of 3-(2-phenylethyliminomethyl)-1H-indol-2-ol?
3-(2-phenylethyliminomethyl)-1H-indol-2-ol has a molecular weight of 264.33 g/mol, XLogP of 3.54, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenylethyliminomethyl)-1H-indol-2-ol is sourced from PubChem (CID 2859755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).