1-[2-(4-methylphenoxy)ethyl]indole-3-carbonitrile

C18H16N2O — CID 951797

IUPAC1-[2-(4-methylphenoxy)ethyl]indole-3-carbonitrile
SMILESCc1ccc(OCCn2cc(C#N)c3ccccc32)cc1
InChIInChI=1S/C18H16N2O/c1-14-6-8-16(9-7-14)21-11-10-20-13-15(12-19)17-4-2-3-5-18(17)20/h2-9,13H,10-11H2,1H3
InChIKeyUYLUHZDEWSZGQW-UHFFFAOYSA-N
MW276.34 g/mol
LogP3.90
Rot. Bonds4

About 1-[2-(4-methylphenoxy)ethyl]indole-3-carbonitrile

1-[2-(4-methylphenoxy)ethyl]indole-3-carbonitrile (PubChem CID 951797) has the molecular formula C18H16N2O and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-[2-(4-methylphenoxy)ethyl]indole-3-carbonitrile.

Molecular Properties

Compound Name1-[2-(4-methylphenoxy)ethyl]indole-3-carbonitrile
PubChem CID951797
Molecular FormulaC18H16N2O
Molecular Weight276.34 g/mol
Exact Mass276.13
IUPAC Name1-[2-(4-methylphenoxy)ethyl]indole-3-carbonitrile
SMILESCc1ccc(OCCn2cc(C#N)c3ccccc32)cc1
InChIInChI=1S/C18H16N2O/c1-14-6-8-16(9-7-14)21-11-10-20-13-15(12-19)17-4-2-3-5-18(17)20/h2-9,13H,10-11H2,1H3
InChIKeyUYLUHZDEWSZGQW-UHFFFAOYSA-N
XLogP3.90
TPSA37.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[2-(4-methylphenoxy)ethyl]indole-3-carbonitrile 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-[2-(4-methylphenoxy)ethyl]indole-3-carbonitrile?
The IUPAC name of 1-[2-(4-methylphenoxy)ethyl]indole-3-carbonitrile (CID 951797) is 1-[2-(4-methylphenoxy)ethyl]indole-3-carbonitrile.
What is the SMILES notation for 1-[2-(4-methylphenoxy)ethyl]indole-3-carbonitrile?
The canonical SMILES for 1-[2-(4-methylphenoxy)ethyl]indole-3-carbonitrile is Cc1ccc(OCCn2cc(C#N)c3ccccc32)cc1.
What is the InChIKey of 1-[2-(4-methylphenoxy)ethyl]indole-3-carbonitrile?
The InChIKey is UYLUHZDEWSZGQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O/c1-14-6-8-16(9-7-14)21-11-10-20-13-15(12-19)17-4-2-3-5-18(17)20/h2-9,13H,10-11H2,1H3.
What are the key properties of 1-[2-(4-methylphenoxy)ethyl]indole-3-carbonitrile?
1-[2-(4-methylphenoxy)ethyl]indole-3-carbonitrile has a molecular weight of 276.34 g/mol, XLogP of 3.90, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methylphenoxy)ethyl]indole-3-carbonitrile is sourced from PubChem (CID 951797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).