5,6-bis(phenylmethoxy)-1H-indole

C22H19NO2 — CID 20920

IUPAC5,6-bis(phenylmethoxy)-1H-indole
SMILESc1ccc(COc2cc3cc[nH]c3cc2OCc2ccccc2)cc1
InChIInChI=1S/C22H19NO2/c1-3-7-17(8-4-1)15-24-21-13-19-11-12-23-20(19)14-22(21)25-16-18-9-5-2-6-10-18/h1-14,23H,15-16H2
InChIKeyJEUGWNYIRZKHDS-UHFFFAOYSA-N
MW329.40 g/mol
LogP5.33
Rot. Bonds6

About 5,6-bis(phenylmethoxy)-1H-indole

5,6-bis(phenylmethoxy)-1H-indole (PubChem CID 20920) has the molecular formula C22H19NO2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 5,6-bis(phenylmethoxy)-1H-indole.

Molecular Properties

Compound Name5,6-bis(phenylmethoxy)-1H-indole
PubChem CID20920
Molecular FormulaC22H19NO2
Molecular Weight329.40 g/mol
Exact Mass329.14
IUPAC Name5,6-bis(phenylmethoxy)-1H-indole
SMILESc1ccc(COc2cc3cc[nH]c3cc2OCc2ccccc2)cc1
InChIInChI=1S/C22H19NO2/c1-3-7-17(8-4-1)15-24-21-13-19-11-12-23-20(19)14-22(21)25-16-18-9-5-2-6-10-18/h1-14,23H,15-16H2
InChIKeyJEUGWNYIRZKHDS-UHFFFAOYSA-N
XLogP5.33
TPSA34.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.40
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5,6-bis(phenylmethoxy)-1H-indole 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 5,6-bis(phenylmethoxy)-1H-indole?
The IUPAC name of 5,6-bis(phenylmethoxy)-1H-indole (CID 20920) is 5,6-bis(phenylmethoxy)-1H-indole.
What is the SMILES notation for 5,6-bis(phenylmethoxy)-1H-indole?
The canonical SMILES for 5,6-bis(phenylmethoxy)-1H-indole is c1ccc(COc2cc3cc[nH]c3cc2OCc2ccccc2)cc1.
What is the InChIKey of 5,6-bis(phenylmethoxy)-1H-indole?
The InChIKey is JEUGWNYIRZKHDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO2/c1-3-7-17(8-4-1)15-24-21-13-19-11-12-23-20(19)14-22(21)25-16-18-9-5-2-6-10-18/h1-14,23H,15-16H2.
What are the key properties of 5,6-bis(phenylmethoxy)-1H-indole?
5,6-bis(phenylmethoxy)-1H-indole has a molecular weight of 329.40 g/mol, XLogP of 5.33, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-bis(phenylmethoxy)-1H-indole is sourced from PubChem (CID 20920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).