4-[(1R,2S)-1-hydroxy-2,4-diphenylbut-3-enyl]benzonitrile

C23H19NO — CID 134938938

IUPAC4-[(1R,2S)-1-hydroxy-2,4-diphenylbut-3-enyl]benzonitrile
SMILESN#Cc1ccc([C@H](O)[C@@H](C=Cc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H19NO/c24-17-19-11-14-21(15-12-19)23(25)22(20-9-5-2-6-10-20)16-13-18-7-3-1-4-8-18/h1-16,22-23,25H/t22-,23-/m0/s1
InChIKeyARTDXKYRUYQDJJ-GOTSBHOMSA-N
MW325.41 g/mol
LogP5.09
Rot. Bonds5

About 4-[(1R,2S)-1-hydroxy-2,4-diphenylbut-3-enyl]benzonitrile

4-[(1R,2S)-1-hydroxy-2,4-diphenylbut-3-enyl]benzonitrile (PubChem CID 134938938) has the molecular formula C23H19NO and a molecular weight of 325.41 g/mol. Its IUPAC name is 4-[(1R,2S)-1-hydroxy-2,4-diphenylbut-3-enyl]benzonitrile.

Molecular Properties

Compound Name4-[(1R,2S)-1-hydroxy-2,4-diphenylbut-3-enyl]benzonitrile
PubChem CID134938938
Molecular FormulaC23H19NO
Molecular Weight325.41 g/mol
Exact Mass325.15
IUPAC Name4-[(1R,2S)-1-hydroxy-2,4-diphenylbut-3-enyl]benzonitrile
SMILESN#Cc1ccc([C@H](O)[C@@H](C=Cc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H19NO/c24-17-19-11-14-21(15-12-19)23(25)22(20-9-5-2-6-10-20)16-13-18-7-3-1-4-8-18/h1-16,22-23,25H/t22-,23-/m0/s1
InChIKeyARTDXKYRUYQDJJ-GOTSBHOMSA-N
XLogP5.09
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.41
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,2R,3Z,5E)-1,2,6-triphenylhexa-3,5-dien-1-ol
CID 155932979
4-[(1R,2S)-2-(4-cyanophenyl)-1,2-dihydroxyethyl]benzonitrile
CID 10912374
4-(4-cyanophenyl)-4-hydroxy-2-methylidene-3-phenylbutanoic acid
CID 143506400
4-[(1R)-1-phenylethyl]benzonitrile
CID 118361850
4-(1,2-dibromo-2-phenylethyl)benzonitrile
CID 13431601
(E,3S)-3-hydroxy-5-phenylpent-4-enenitrile
CID 11052128
(2R)-2-(4-cyanophenyl)-2-hydroxyacetic acid
CID 67741603
3-phenylprop-2-ene-1,1-diol
CID 54432533
4-(2-phenylethenylsulfonyl)benzonitrile
CID 70224681
4-[(Z)-2-(4-cyanophenyl)ethenyl]benzonitrile
CID 10857270
1-[4-(1,2-dihydroxy-2-phenylethyl)phenyl]-2-phenylethane-1,2-diol
CID 14066931
diethyl 2-[(E,1R)-1,3-diphenylprop-2-enyl]propanedioate
CID 11002654

Frequently Asked Questions

What is the IUPAC name of 4-[(1R,2S)-1-hydroxy-2,4-diphenylbut-3-enyl]benzonitrile?
The IUPAC name of 4-[(1R,2S)-1-hydroxy-2,4-diphenylbut-3-enyl]benzonitrile (CID 134938938) is 4-[(1R,2S)-1-hydroxy-2,4-diphenylbut-3-enyl]benzonitrile.
What is the SMILES notation for 4-[(1R,2S)-1-hydroxy-2,4-diphenylbut-3-enyl]benzonitrile?
The canonical SMILES for 4-[(1R,2S)-1-hydroxy-2,4-diphenylbut-3-enyl]benzonitrile is N#Cc1ccc([C@H](O)[C@@H](C=Cc2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 4-[(1R,2S)-1-hydroxy-2,4-diphenylbut-3-enyl]benzonitrile?
The InChIKey is ARTDXKYRUYQDJJ-GOTSBHOMSA-N. The full InChI is InChI=1S/C23H19NO/c24-17-19-11-14-21(15-12-19)23(25)22(20-9-5-2-6-10-20)16-13-18-7-3-1-4-8-18/h1-16,22-23,25H/t22-,23-/m0/s1.
What are the key properties of 4-[(1R,2S)-1-hydroxy-2,4-diphenylbut-3-enyl]benzonitrile?
4-[(1R,2S)-1-hydroxy-2,4-diphenylbut-3-enyl]benzonitrile has a molecular weight of 325.41 g/mol, XLogP of 5.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R,2S)-1-hydroxy-2,4-diphenylbut-3-enyl]benzonitrile is sourced from PubChem (CID 134938938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).