2-(4-ethoxyphenyl)acetonitrile

C10H11NO — CID 583905

IUPAC2-(4-ethoxyphenyl)acetonitrile
SMILESCCOc1ccc(CC#N)cc1
InChIInChI=1S/C10H11NO/c1-2-12-10-5-3-9(4-6-10)7-8-11/h3-6H,2,7H2,1H3
InChIKeyPQXBQWKKJUWNDI-UHFFFAOYSA-N
MW161.20 g/mol
LogP2.15
Rot. Bonds3

About 2-(4-ethoxyphenyl)acetonitrile

2-(4-ethoxyphenyl)acetonitrile (PubChem CID 583905) has the molecular formula C10H11NO and a molecular weight of 161.20 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)acetonitrile.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)acetonitrile
PubChem CID583905
Molecular FormulaC10H11NO
Molecular Weight161.20 g/mol
Exact Mass161.08
IUPAC Name2-(4-ethoxyphenyl)acetonitrile
SMILESCCOc1ccc(CC#N)cc1
InChIInChI=1S/C10H11NO/c1-2-12-10-5-3-9(4-6-10)7-8-11/h3-6H,2,7H2,1H3
InChIKeyPQXBQWKKJUWNDI-UHFFFAOYSA-N
XLogP2.15
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(4-ethoxyphenyl)acetonitrile 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 2-(4-ethoxyphenyl)acetonitrile?
The IUPAC name of 2-(4-ethoxyphenyl)acetonitrile (CID 583905) is 2-(4-ethoxyphenyl)acetonitrile.
What is the SMILES notation for 2-(4-ethoxyphenyl)acetonitrile?
The canonical SMILES for 2-(4-ethoxyphenyl)acetonitrile is CCOc1ccc(CC#N)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)acetonitrile?
The InChIKey is PQXBQWKKJUWNDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO/c1-2-12-10-5-3-9(4-6-10)7-8-11/h3-6H,2,7H2,1H3.
What are the key properties of 2-(4-ethoxyphenyl)acetonitrile?
2-(4-ethoxyphenyl)acetonitrile has a molecular weight of 161.20 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)acetonitrile is sourced from PubChem (CID 583905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).