2-(3-hydroxy-4-methoxyphenyl)-2-(2-phenylmorpholin-4-yl)acetonitrile

C19H20N2O3 — CID 52985681

IUPAC2-(3-hydroxy-4-methoxyphenyl)-2-(2-phenylmorpholin-4-yl)acetonitrile
SMILESCOc1ccc(C(C#N)N2CCOC(c3ccccc3)C2)cc1O
InChIInChI=1S/C19H20N2O3/c1-23-18-8-7-15(11-17(18)22)16(12-20)21-9-10-24-19(13-21)14-5-3-2-4-6-14/h2-8,11,16,19,22H,9-10,13H2,1H3
InChIKeyOFORMKKGLOSJEU-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.04
Rot. Bonds4

About 2-(3-hydroxy-4-methoxyphenyl)-2-(2-phenylmorpholin-4-yl)acetonitrile

2-(3-hydroxy-4-methoxyphenyl)-2-(2-phenylmorpholin-4-yl)acetonitrile (PubChem CID 52985681) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 2-(3-hydroxy-4-methoxyphenyl)-2-(2-phenylmorpholin-4-yl)acetonitrile.

Molecular Properties

Compound Name2-(3-hydroxy-4-methoxyphenyl)-2-(2-phenylmorpholin-4-yl)acetonitrile
PubChem CID52985681
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name2-(3-hydroxy-4-methoxyphenyl)-2-(2-phenylmorpholin-4-yl)acetonitrile
SMILESCOc1ccc(C(C#N)N2CCOC(c3ccccc3)C2)cc1O
InChIInChI=1S/C19H20N2O3/c1-23-18-8-7-15(11-17(18)22)16(12-20)21-9-10-24-19(13-21)14-5-3-2-4-6-14/h2-8,11,16,19,22H,9-10,13H2,1H3
InChIKeyOFORMKKGLOSJEU-UHFFFAOYSA-N
XLogP3.04
TPSA65.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(3-hydroxy-4-methoxyphenyl)-2-(2-phenylmorpholin-4-yl)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-(3-hydroxy-4-methoxyphenyl)-2-(2-phenylmorpholin-4-yl)acetonitrile?
The IUPAC name of 2-(3-hydroxy-4-methoxyphenyl)-2-(2-phenylmorpholin-4-yl)acetonitrile (CID 52985681) is 2-(3-hydroxy-4-methoxyphenyl)-2-(2-phenylmorpholin-4-yl)acetonitrile.
What is the SMILES notation for 2-(3-hydroxy-4-methoxyphenyl)-2-(2-phenylmorpholin-4-yl)acetonitrile?
The canonical SMILES for 2-(3-hydroxy-4-methoxyphenyl)-2-(2-phenylmorpholin-4-yl)acetonitrile is COc1ccc(C(C#N)N2CCOC(c3ccccc3)C2)cc1O.
What is the InChIKey of 2-(3-hydroxy-4-methoxyphenyl)-2-(2-phenylmorpholin-4-yl)acetonitrile?
The InChIKey is OFORMKKGLOSJEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-23-18-8-7-15(11-17(18)22)16(12-20)21-9-10-24-19(13-21)14-5-3-2-4-6-14/h2-8,11,16,19,22H,9-10,13H2,1H3.
What are the key properties of 2-(3-hydroxy-4-methoxyphenyl)-2-(2-phenylmorpholin-4-yl)acetonitrile?
2-(3-hydroxy-4-methoxyphenyl)-2-(2-phenylmorpholin-4-yl)acetonitrile has a molecular weight of 324.38 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxy-4-methoxyphenyl)-2-(2-phenylmorpholin-4-yl)acetonitrile is sourced from PubChem (CID 52985681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).