(1R,2S)-2-(2,2-diphenylhydrazinyl)-1-phenylbut-3-en-1-ol

C22H22N2O — CID 101095107

IUPAC(1R,2S)-2-(2,2-diphenylhydrazinyl)-1-phenylbut-3-en-1-ol
SMILESC=C[C@H](NN(c1ccccc1)c1ccccc1)[C@H](O)c1ccccc1
InChIInChI=1S/C22H22N2O/c1-2-21(22(25)18-12-6-3-7-13-18)23-24(19-14-8-4-9-15-19)20-16-10-5-11-17-20/h2-17,21-23,25H,1H2/t21-,22+/m0/s1
InChIKeyOWTOOGVVNSDNIB-FCHUYYIVSA-N
MW330.43 g/mol
LogP4.62
Rot. Bonds7

About (1R,2S)-2-(2,2-diphenylhydrazinyl)-1-phenylbut-3-en-1-ol

(1R,2S)-2-(2,2-diphenylhydrazinyl)-1-phenylbut-3-en-1-ol (PubChem CID 101095107) has the molecular formula C22H22N2O and a molecular weight of 330.43 g/mol. Its IUPAC name is (1R,2S)-2-(2,2-diphenylhydrazinyl)-1-phenylbut-3-en-1-ol.

Molecular Properties

Compound Name(1R,2S)-2-(2,2-diphenylhydrazinyl)-1-phenylbut-3-en-1-ol
PubChem CID101095107
Molecular FormulaC22H22N2O
Molecular Weight330.43 g/mol
Exact Mass330.17
IUPAC Name(1R,2S)-2-(2,2-diphenylhydrazinyl)-1-phenylbut-3-en-1-ol
SMILESC=C[C@H](NN(c1ccccc1)c1ccccc1)[C@H](O)c1ccccc1
InChIInChI=1S/C22H22N2O/c1-2-21(22(25)18-12-6-3-7-13-18)23-24(19-14-8-4-9-15-19)20-16-10-5-11-17-20/h2-17,21-23,25H,1H2/t21-,22+/m0/s1
InChIKeyOWTOOGVVNSDNIB-FCHUYYIVSA-N
XLogP4.62
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (1R,2S)-2-(2,2-diphenylhydrazinyl)-1-phenylbut-3-en-1-ol 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-ethenyl-1,3-diphenylpropane-1,3-diol
CID 11821143
(1R,2S)-2-amino-1-phenylbut-3-en-1-ol
CID 10942782
1,2-diphenylethane-1,2-diol
CID 159073808
benzene;1-phenylprop-2-en-1-ol
CID 174884403
(3R,4S)-4-(N-phenylanilino)hexa-1,5-dien-3-ol
CID 10989171
penta-1,4-dien-3-ylbenzene
CID 15879286
1-[4-(1,2-dihydroxy-2-phenylethyl)phenyl]-2-phenylethane-1,2-diol
CID 14066931
(1R,2S)-1-phenyl-2-trimethylsilylbut-3-en-1-ol
CID 12705031
(1S)-2-ethenyl-1-phenylhexan-1-ol
CID 135057240
1,1-diphenylbut-3-en-2-ol
CID 88826241
2-[(1S,2S)-1-hydroxy-1-phenylbut-3-en-2-yl]phenol
CID 102148405
benzene;2-phenylethane-1,1,2-triol
CID 174439943

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-2-(2,2-diphenylhydrazinyl)-1-phenylbut-3-en-1-ol?
The IUPAC name of (1R,2S)-2-(2,2-diphenylhydrazinyl)-1-phenylbut-3-en-1-ol (CID 101095107) is (1R,2S)-2-(2,2-diphenylhydrazinyl)-1-phenylbut-3-en-1-ol.
What is the SMILES notation for (1R,2S)-2-(2,2-diphenylhydrazinyl)-1-phenylbut-3-en-1-ol?
The canonical SMILES for (1R,2S)-2-(2,2-diphenylhydrazinyl)-1-phenylbut-3-en-1-ol is C=C[C@H](NN(c1ccccc1)c1ccccc1)[C@H](O)c1ccccc1.
What is the InChIKey of (1R,2S)-2-(2,2-diphenylhydrazinyl)-1-phenylbut-3-en-1-ol?
The InChIKey is OWTOOGVVNSDNIB-FCHUYYIVSA-N. The full InChI is InChI=1S/C22H22N2O/c1-2-21(22(25)18-12-6-3-7-13-18)23-24(19-14-8-4-9-15-19)20-16-10-5-11-17-20/h2-17,21-23,25H,1H2/t21-,22+/m0/s1.
What are the key properties of (1R,2S)-2-(2,2-diphenylhydrazinyl)-1-phenylbut-3-en-1-ol?
(1R,2S)-2-(2,2-diphenylhydrazinyl)-1-phenylbut-3-en-1-ol has a molecular weight of 330.43 g/mol, XLogP of 4.62, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-2-(2,2-diphenylhydrazinyl)-1-phenylbut-3-en-1-ol is sourced from PubChem (CID 101095107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).