2-[2-[[2-(2-hydroxyethoxy)phenoxy]methyl]phenyl]-2-methylpropanenitrile

C19H21NO3 — CID 71915410

IUPAC2-[2-[[2-(2-hydroxyethoxy)phenoxy]methyl]phenyl]-2-methylpropanenitrile
SMILESCC(C)(C#N)c1ccccc1COc1ccccc1OCCO
InChIInChI=1S/C19H21NO3/c1-19(2,14-20)16-8-4-3-7-15(16)13-23-18-10-6-5-9-17(18)22-12-11-21/h3-10,21H,11-13H2,1-2H3
InChIKeyONGSVADVCIJSRD-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.44
Rot. Bonds7

About 2-[2-[[2-(2-hydroxyethoxy)phenoxy]methyl]phenyl]-2-methylpropanenitrile

2-[2-[[2-(2-hydroxyethoxy)phenoxy]methyl]phenyl]-2-methylpropanenitrile (PubChem CID 71915410) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is 2-[2-[[2-(2-hydroxyethoxy)phenoxy]methyl]phenyl]-2-methylpropanenitrile.

Molecular Properties

Compound Name2-[2-[[2-(2-hydroxyethoxy)phenoxy]methyl]phenyl]-2-methylpropanenitrile
PubChem CID71915410
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name2-[2-[[2-(2-hydroxyethoxy)phenoxy]methyl]phenyl]-2-methylpropanenitrile
SMILESCC(C)(C#N)c1ccccc1COc1ccccc1OCCO
InChIInChI=1S/C19H21NO3/c1-19(2,14-20)16-8-4-3-7-15(16)13-23-18-10-6-5-9-17(18)22-12-11-21/h3-10,21H,11-13H2,1-2H3
InChIKeyONGSVADVCIJSRD-UHFFFAOYSA-N
XLogP3.44
TPSA62.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[2-[[2-(2-hydroxyethoxy)phenoxy]methyl]phenyl]-2-methylpropanenitrile 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-[2-[[2-(2-hydroxyethoxy)phenoxy]methyl]phenyl]-2-methylpropanenitrile?
The IUPAC name of 2-[2-[[2-(2-hydroxyethoxy)phenoxy]methyl]phenyl]-2-methylpropanenitrile (CID 71915410) is 2-[2-[[2-(2-hydroxyethoxy)phenoxy]methyl]phenyl]-2-methylpropanenitrile.
What is the SMILES notation for 2-[2-[[2-(2-hydroxyethoxy)phenoxy]methyl]phenyl]-2-methylpropanenitrile?
The canonical SMILES for 2-[2-[[2-(2-hydroxyethoxy)phenoxy]methyl]phenyl]-2-methylpropanenitrile is CC(C)(C#N)c1ccccc1COc1ccccc1OCCO.
What is the InChIKey of 2-[2-[[2-(2-hydroxyethoxy)phenoxy]methyl]phenyl]-2-methylpropanenitrile?
The InChIKey is ONGSVADVCIJSRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c1-19(2,14-20)16-8-4-3-7-15(16)13-23-18-10-6-5-9-17(18)22-12-11-21/h3-10,21H,11-13H2,1-2H3.
What are the key properties of 2-[2-[[2-(2-hydroxyethoxy)phenoxy]methyl]phenyl]-2-methylpropanenitrile?
2-[2-[[2-(2-hydroxyethoxy)phenoxy]methyl]phenyl]-2-methylpropanenitrile has a molecular weight of 311.38 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[2-(2-hydroxyethoxy)phenoxy]methyl]phenyl]-2-methylpropanenitrile is sourced from PubChem (CID 71915410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).