(2R,3S)-3-(2,6-diethylphenyl)-3-hydroxy-2-naphthalen-2-ylpropanenitrile

C23H23NO — CID 11991418

IUPAC(2R,3S)-3-(2,6-diethylphenyl)-3-hydroxy-2-naphthalen-2-ylpropanenitrile
SMILESCCc1cccc(CC)c1[C@@H](O)[C@@H](C#N)c1ccc2ccccc2c1
InChIInChI=1S/C23H23NO/c1-3-16-10-7-11-17(4-2)22(16)23(25)21(15-24)20-13-12-18-8-5-6-9-19(18)14-20/h5-14,21,23,25H,3-4H2,1-2H3/t21-,23-/m0/s1
InChIKeyDKCPZQDGLJSVQY-GMAHTHKFSA-N
MW329.44 g/mol
LogP5.31
Rot. Bonds5

About (2R,3S)-3-(2,6-diethylphenyl)-3-hydroxy-2-naphthalen-2-ylpropanenitrile

(2R,3S)-3-(2,6-diethylphenyl)-3-hydroxy-2-naphthalen-2-ylpropanenitrile (PubChem CID 11991418) has the molecular formula C23H23NO and a molecular weight of 329.44 g/mol. Its IUPAC name is (2R,3S)-3-(2,6-diethylphenyl)-3-hydroxy-2-naphthalen-2-ylpropanenitrile.

Molecular Properties

Compound Name(2R,3S)-3-(2,6-diethylphenyl)-3-hydroxy-2-naphthalen-2-ylpropanenitrile
PubChem CID11991418
Molecular FormulaC23H23NO
Molecular Weight329.44 g/mol
Exact Mass329.18
IUPAC Name(2R,3S)-3-(2,6-diethylphenyl)-3-hydroxy-2-naphthalen-2-ylpropanenitrile
SMILESCCc1cccc(CC)c1[C@@H](O)[C@@H](C#N)c1ccc2ccccc2c1
InChIInChI=1S/C23H23NO/c1-3-16-10-7-11-17(4-2)22(16)23(25)21(15-24)20-13-12-18-8-5-6-9-19(18)14-20/h5-14,21,23,25H,3-4H2,1-2H3/t21-,23-/m0/s1
InChIKeyDKCPZQDGLJSVQY-GMAHTHKFSA-N
XLogP5.31
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.44
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2R,3S)-3-(2,6-diethylphenyl)-3-hydroxy-2-naphthalen-2-ylpropanenitrile 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

2,3-dihydroxy-3-naphthalen-2-ylpropanenitrile
CID 171870416
(2S,3R)-2-hydroxy-3-naphthalen-2-ylbutanenitrile
CID 100997633
3,4-dihydroxy-4-naphthalen-2-ylbutanenitrile
CID 171901152
ethane;1-naphthalen-2-ylpropan-1-ol
CID 143858826
diethyl 2,3-dinaphthalen-2-ylbutanedioate
CID 611707
(1R,2S)-1-naphthalen-2-yl-2-nitropropan-1-ol
CID 101234159
(1R)-2,2-diethoxy-1-naphthalen-2-ylethanol
CID 102400657
ethyl (3S)-3-hydroxy-3-naphthalen-2-ylpropanoate
CID 13023961
naphthalen-2-ylmethanediol
CID 22496827
[(R)-cyano(naphthalen-2-yl)methyl] diethyl phosphate
CID 71420194
1-hydroxy-3-methyl-1-naphthalen-2-ylbutan-2-one
CID 23568525
2-(3-hydroxybutan-2-yloxy)-2-naphthalen-2-ylacetonitrile
CID 103376285

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-(2,6-diethylphenyl)-3-hydroxy-2-naphthalen-2-ylpropanenitrile?
The IUPAC name of (2R,3S)-3-(2,6-diethylphenyl)-3-hydroxy-2-naphthalen-2-ylpropanenitrile (CID 11991418) is (2R,3S)-3-(2,6-diethylphenyl)-3-hydroxy-2-naphthalen-2-ylpropanenitrile.
What is the SMILES notation for (2R,3S)-3-(2,6-diethylphenyl)-3-hydroxy-2-naphthalen-2-ylpropanenitrile?
The canonical SMILES for (2R,3S)-3-(2,6-diethylphenyl)-3-hydroxy-2-naphthalen-2-ylpropanenitrile is CCc1cccc(CC)c1[C@@H](O)[C@@H](C#N)c1ccc2ccccc2c1.
What is the InChIKey of (2R,3S)-3-(2,6-diethylphenyl)-3-hydroxy-2-naphthalen-2-ylpropanenitrile?
The InChIKey is DKCPZQDGLJSVQY-GMAHTHKFSA-N. The full InChI is InChI=1S/C23H23NO/c1-3-16-10-7-11-17(4-2)22(16)23(25)21(15-24)20-13-12-18-8-5-6-9-19(18)14-20/h5-14,21,23,25H,3-4H2,1-2H3/t21-,23-/m0/s1.
What are the key properties of (2R,3S)-3-(2,6-diethylphenyl)-3-hydroxy-2-naphthalen-2-ylpropanenitrile?
(2R,3S)-3-(2,6-diethylphenyl)-3-hydroxy-2-naphthalen-2-ylpropanenitrile has a molecular weight of 329.44 g/mol, XLogP of 5.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-(2,6-diethylphenyl)-3-hydroxy-2-naphthalen-2-ylpropanenitrile is sourced from PubChem (CID 11991418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).