3-hydroxy-2-methyl-3-phenyl-3-(4-propoxyphenyl)propanenitrile

C19H21NO2 — CID 154155792

IUPAC3-hydroxy-2-methyl-3-phenyl-3-(4-propoxyphenyl)propanenitrile
SMILESCCCOc1ccc(C(O)(c2ccccc2)C(C)C#N)cc1
InChIInChI=1S/C19H21NO2/c1-3-13-22-18-11-9-17(10-12-18)19(21,15(2)14-20)16-7-5-4-6-8-16/h4-12,15,21H,3,13H2,1-2H3
InChIKeyMSCISXQSDQRQLN-UHFFFAOYSA-N
MW295.38 g/mol
LogP3.87
Rot. Bonds6

About 3-hydroxy-2-methyl-3-phenyl-3-(4-propoxyphenyl)propanenitrile

3-hydroxy-2-methyl-3-phenyl-3-(4-propoxyphenyl)propanenitrile (PubChem CID 154155792) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is 3-hydroxy-2-methyl-3-phenyl-3-(4-propoxyphenyl)propanenitrile.

Molecular Properties

Compound Name3-hydroxy-2-methyl-3-phenyl-3-(4-propoxyphenyl)propanenitrile
PubChem CID154155792
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name3-hydroxy-2-methyl-3-phenyl-3-(4-propoxyphenyl)propanenitrile
SMILESCCCOc1ccc(C(O)(c2ccccc2)C(C)C#N)cc1
InChIInChI=1S/C19H21NO2/c1-3-13-22-18-11-9-17(10-12-18)19(21,15(2)14-20)16-7-5-4-6-8-16/h4-12,15,21H,3,13H2,1-2H3
InChIKeyMSCISXQSDQRQLN-UHFFFAOYSA-N
XLogP3.87
TPSA53.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-hydroxy-2-methyl-3-phenyl-3-(4-propoxyphenyl)propanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(2-hydroxyethoxy)phenyl]-1,2-diphenylbutan-1-ol
CID 20558061
2-methyl-3-(4-propoxyphenyl)pentan-3-ol
CID 62796253
3-hydroxy-2-methyl-3,3-bis(4-methylphenyl)propanenitrile
CID 163818996
2-fluoro-2-phenyl-2-(4-propoxyphenyl)ethanamine
CID 115918108
azane;propoxybenzene
CID 66667480
CID 161224902
CID 161224902
2-hydroxy-2-(4-propoxyphenyl)propanoic acid
CID 61237802
2-[4-[2-ethyl-1-[4-(2-hydroxyethoxy)phenyl]-1-phenylbutyl]phenoxy]ethanol
CID 139685238
1-[phenyl-(4-propoxyphenyl)methyl]-4-propoxybenzene
CID 91374788
1-heptoxy-4-[(4-heptoxyphenyl)-diphenylmethyl]benzene
CID 118498507
1-(4-ethoxyphenyl)-1-phenylbutan-1-ol
CID 62786789
1-(2-hydroperoxypropan-2-yl)-4-propoxybenzene
CID 11481238

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-methyl-3-phenyl-3-(4-propoxyphenyl)propanenitrile?
The IUPAC name of 3-hydroxy-2-methyl-3-phenyl-3-(4-propoxyphenyl)propanenitrile (CID 154155792) is 3-hydroxy-2-methyl-3-phenyl-3-(4-propoxyphenyl)propanenitrile.
What is the SMILES notation for 3-hydroxy-2-methyl-3-phenyl-3-(4-propoxyphenyl)propanenitrile?
The canonical SMILES for 3-hydroxy-2-methyl-3-phenyl-3-(4-propoxyphenyl)propanenitrile is CCCOc1ccc(C(O)(c2ccccc2)C(C)C#N)cc1.
What is the InChIKey of 3-hydroxy-2-methyl-3-phenyl-3-(4-propoxyphenyl)propanenitrile?
The InChIKey is MSCISXQSDQRQLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2/c1-3-13-22-18-11-9-17(10-12-18)19(21,15(2)14-20)16-7-5-4-6-8-16/h4-12,15,21H,3,13H2,1-2H3.
What are the key properties of 3-hydroxy-2-methyl-3-phenyl-3-(4-propoxyphenyl)propanenitrile?
3-hydroxy-2-methyl-3-phenyl-3-(4-propoxyphenyl)propanenitrile has a molecular weight of 295.38 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-methyl-3-phenyl-3-(4-propoxyphenyl)propanenitrile is sourced from PubChem (CID 154155792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).