(2R,3S)-2-hydroxy-4-phenyl-3-phenylmethoxybutanenitrile

C17H17NO2 — CID 100997655

IUPAC(2R,3S)-2-hydroxy-4-phenyl-3-phenylmethoxybutanenitrile
SMILESN#C[C@@H](O)[C@H](Cc1ccccc1)OCc1ccccc1
InChIInChI=1S/C17H17NO2/c18-12-16(19)17(11-14-7-3-1-4-8-14)20-13-15-9-5-2-6-10-15/h1-10,16-17,19H,11,13H2/t16-,17+/m1/s1
InChIKeyALBMANLFHUXWRN-SJORKVTESA-N
MW267.33 g/mol
LogP2.70
Rot. Bonds6

About (2R,3S)-2-hydroxy-4-phenyl-3-phenylmethoxybutanenitrile

(2R,3S)-2-hydroxy-4-phenyl-3-phenylmethoxybutanenitrile (PubChem CID 100997655) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is (2R,3S)-2-hydroxy-4-phenyl-3-phenylmethoxybutanenitrile.

Molecular Properties

Compound Name(2R,3S)-2-hydroxy-4-phenyl-3-phenylmethoxybutanenitrile
PubChem CID100997655
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name(2R,3S)-2-hydroxy-4-phenyl-3-phenylmethoxybutanenitrile
SMILESN#C[C@@H](O)[C@H](Cc1ccccc1)OCc1ccccc1
InChIInChI=1S/C17H17NO2/c18-12-16(19)17(11-14-7-3-1-4-8-14)20-13-15-9-5-2-6-10-15/h1-10,16-17,19H,11,13H2/t16-,17+/m1/s1
InChIKeyALBMANLFHUXWRN-SJORKVTESA-N
XLogP2.70
TPSA53.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanohydrins', 'substructure': 'N/A'}

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Related Compounds

(3S)-2,3-dihydroxy-4-phenylbutanenitrile
CID 130918257
(2R,3R)-2-hydroxy-4,4-dimethyl-3-phenylmethoxypentanenitrile
CID 101030359
(4S,5R)-4-hydroxy-6-phenyl-5-phenylmethoxyhexan-2-one
CID 102255355
benzyl N-[(1S,2R)-1-cyano-1-hydroxy-3-phenylpropan-2-yl]carbamate
CID 11077778
(2S,3R)-3-[(4-methoxyphenyl)methoxy]-4-phenylbutan-2-ol
CID 121462720
(2S,3S)-3-phenylmethoxybutane-1,2,4-triol
CID 10921802
(3S)-2-amino-3,4-bis(phenylmethoxy)butanenitrile
CID 142485430
(2R,3R)-2-phenylmethoxybutane-1,3-diol
CID 130609358
[(2R,3R)-1,4-dibromo-3-phenylmethoxybutan-2-yl]oxymethylbenzene
CID 101207998
(2S)-3-phenyl-2-phenylmethoxypropan-1-ol
CID 11831604
(2R,3S,4S,5R)-2,3,4-tris(phenylmethoxy)hexane-1,5-diol
CID 11048386
(2R,3R,4S,5R)-1,6-diphenoxy-2,5-bis(phenylmethoxy)hexane-3,4-diol
CID 3011292

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-hydroxy-4-phenyl-3-phenylmethoxybutanenitrile?
The IUPAC name of (2R,3S)-2-hydroxy-4-phenyl-3-phenylmethoxybutanenitrile (CID 100997655) is (2R,3S)-2-hydroxy-4-phenyl-3-phenylmethoxybutanenitrile.
What is the SMILES notation for (2R,3S)-2-hydroxy-4-phenyl-3-phenylmethoxybutanenitrile?
The canonical SMILES for (2R,3S)-2-hydroxy-4-phenyl-3-phenylmethoxybutanenitrile is N#C[C@@H](O)[C@H](Cc1ccccc1)OCc1ccccc1.
What is the InChIKey of (2R,3S)-2-hydroxy-4-phenyl-3-phenylmethoxybutanenitrile?
The InChIKey is ALBMANLFHUXWRN-SJORKVTESA-N. The full InChI is InChI=1S/C17H17NO2/c18-12-16(19)17(11-14-7-3-1-4-8-14)20-13-15-9-5-2-6-10-15/h1-10,16-17,19H,11,13H2/t16-,17+/m1/s1.
What are the key properties of (2R,3S)-2-hydroxy-4-phenyl-3-phenylmethoxybutanenitrile?
(2R,3S)-2-hydroxy-4-phenyl-3-phenylmethoxybutanenitrile has a molecular weight of 267.33 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-hydroxy-4-phenyl-3-phenylmethoxybutanenitrile is sourced from PubChem (CID 100997655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).