3-hydroxy-3-[2-(4-methoxyindol-1-yl)phenyl]propanenitrile

C18H16N2O2 — CID 155664801

IUPAC3-hydroxy-3-[2-(4-methoxyindol-1-yl)phenyl]propanenitrile
SMILESCOc1cccc2c1ccn2-c1ccccc1C(O)CC#N
InChIInChI=1S/C18H16N2O2/c1-22-18-8-4-7-16-14(18)10-12-20(16)15-6-3-2-5-13(15)17(21)9-11-19/h2-8,10,12,17,21H,9H2,1H3
InChIKeyGDAJMPSVKUVLOA-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.59
Rot. Bonds4

About 3-hydroxy-3-[2-(4-methoxyindol-1-yl)phenyl]propanenitrile

3-hydroxy-3-[2-(4-methoxyindol-1-yl)phenyl]propanenitrile (PubChem CID 155664801) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 3-hydroxy-3-[2-(4-methoxyindol-1-yl)phenyl]propanenitrile.

Molecular Properties

Compound Name3-hydroxy-3-[2-(4-methoxyindol-1-yl)phenyl]propanenitrile
PubChem CID155664801
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name3-hydroxy-3-[2-(4-methoxyindol-1-yl)phenyl]propanenitrile
SMILESCOc1cccc2c1ccn2-c1ccccc1C(O)CC#N
InChIInChI=1S/C18H16N2O2/c1-22-18-8-4-7-16-14(18)10-12-20(16)15-6-3-2-5-13(15)17(21)9-11-19/h2-8,10,12,17,21H,9H2,1H3
InChIKeyGDAJMPSVKUVLOA-UHFFFAOYSA-N
XLogP3.59
TPSA58.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-hydroxy-3-[2-(4-methoxyindol-1-yl)phenyl]propanenitrile 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 3-hydroxy-3-[2-(4-methoxyindol-1-yl)phenyl]propanenitrile?
The IUPAC name of 3-hydroxy-3-[2-(4-methoxyindol-1-yl)phenyl]propanenitrile (CID 155664801) is 3-hydroxy-3-[2-(4-methoxyindol-1-yl)phenyl]propanenitrile.
What is the SMILES notation for 3-hydroxy-3-[2-(4-methoxyindol-1-yl)phenyl]propanenitrile?
The canonical SMILES for 3-hydroxy-3-[2-(4-methoxyindol-1-yl)phenyl]propanenitrile is COc1cccc2c1ccn2-c1ccccc1C(O)CC#N.
What is the InChIKey of 3-hydroxy-3-[2-(4-methoxyindol-1-yl)phenyl]propanenitrile?
The InChIKey is GDAJMPSVKUVLOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2/c1-22-18-8-4-7-16-14(18)10-12-20(16)15-6-3-2-5-13(15)17(21)9-11-19/h2-8,10,12,17,21H,9H2,1H3.
What are the key properties of 3-hydroxy-3-[2-(4-methoxyindol-1-yl)phenyl]propanenitrile?
3-hydroxy-3-[2-(4-methoxyindol-1-yl)phenyl]propanenitrile has a molecular weight of 292.34 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-[2-(4-methoxyindol-1-yl)phenyl]propanenitrile is sourced from PubChem (CID 155664801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).