(2R,3R)-2-benzyl-4-hydroxy-3-phenylbutanenitrile

C17H17NO — CID 11288187

IUPAC(2R,3R)-2-benzyl-4-hydroxy-3-phenylbutanenitrile
SMILESN#C[C@H](Cc1ccccc1)[C@@H](CO)c1ccccc1
InChIInChI=1S/C17H17NO/c18-12-16(11-14-7-3-1-4-8-14)17(13-19)15-9-5-2-6-10-15/h1-10,16-17,19H,11,13H2/t16-,17-/m0/s1
InChIKeyZLXRZNKZWOSGJX-IRXDYDNUSA-N
MW251.33 g/mol
LogP3.14
Rot. Bonds5

About (2R,3R)-2-benzyl-4-hydroxy-3-phenylbutanenitrile

(2R,3R)-2-benzyl-4-hydroxy-3-phenylbutanenitrile (PubChem CID 11288187) has the molecular formula C17H17NO and a molecular weight of 251.33 g/mol. Its IUPAC name is (2R,3R)-2-benzyl-4-hydroxy-3-phenylbutanenitrile.

Molecular Properties

Compound Name(2R,3R)-2-benzyl-4-hydroxy-3-phenylbutanenitrile
PubChem CID11288187
Molecular FormulaC17H17NO
Molecular Weight251.33 g/mol
Exact Mass251.13
IUPAC Name(2R,3R)-2-benzyl-4-hydroxy-3-phenylbutanenitrile
SMILESN#C[C@H](Cc1ccccc1)[C@@H](CO)c1ccccc1
InChIInChI=1S/C17H17NO/c18-12-16(11-14-7-3-1-4-8-14)17(13-19)15-9-5-2-6-10-15/h1-10,16-17,19H,11,13H2/t16-,17-/m0/s1
InChIKeyZLXRZNKZWOSGJX-IRXDYDNUSA-N
XLogP3.14
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R,4S)-3-cyano-4,5-diphenylpentanoic acid
CID 7316074
3-hydroxy-2-phenylpropanenitrile
CID 11008065
3-anilino-2-benzyl-3-phenylpropanenitrile
CID 602695
2-benzyl-3-methylbutanenitrile;N-methylmethanamine
CID 21389679
2-[(1-hydroxy-3-phenylpropan-2-yl)amino]propanenitrile
CID 63261459
(2S)-2-(1-hydroxypropan-2-ylamino)-3-phenylpropanenitrile
CID 67860910
(3R)-3-benzyl-4-hydroxybutanenitrile
CID 11126787
(2R,3S)-3,4-diphenylbutan-2-ol
CID 166439857
(3S)-2,3-dihydroxy-4-phenylbutanenitrile
CID 130918257
3-phenyl-2-[[(1R)-1-phenylethyl]amino]propanenitrile
CID 11747074
3-phenyl-2-[[(1S)-1-phenylethyl]amino]propanenitrile
CID 11265207
(1R)-1,2-diphenylethanol
CID 1379022

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-benzyl-4-hydroxy-3-phenylbutanenitrile?
The IUPAC name of (2R,3R)-2-benzyl-4-hydroxy-3-phenylbutanenitrile (CID 11288187) is (2R,3R)-2-benzyl-4-hydroxy-3-phenylbutanenitrile.
What is the SMILES notation for (2R,3R)-2-benzyl-4-hydroxy-3-phenylbutanenitrile?
The canonical SMILES for (2R,3R)-2-benzyl-4-hydroxy-3-phenylbutanenitrile is N#C[C@H](Cc1ccccc1)[C@@H](CO)c1ccccc1.
What is the InChIKey of (2R,3R)-2-benzyl-4-hydroxy-3-phenylbutanenitrile?
The InChIKey is ZLXRZNKZWOSGJX-IRXDYDNUSA-N. The full InChI is InChI=1S/C17H17NO/c18-12-16(11-14-7-3-1-4-8-14)17(13-19)15-9-5-2-6-10-15/h1-10,16-17,19H,11,13H2/t16-,17-/m0/s1.
What are the key properties of (2R,3R)-2-benzyl-4-hydroxy-3-phenylbutanenitrile?
(2R,3R)-2-benzyl-4-hydroxy-3-phenylbutanenitrile has a molecular weight of 251.33 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-benzyl-4-hydroxy-3-phenylbutanenitrile is sourced from PubChem (CID 11288187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).