(E)-1,5-diphenyl-3-pyridin-2-ylpent-1-en-4-yn-3-ol

C22H17NO — CID 11702330

IUPAC(E)-1,5-diphenyl-3-pyridin-2-ylpent-1-en-4-yn-3-ol
SMILESOC(C#Cc1ccccc1)(/C=C/c1ccccc1)c1ccccn1
InChIInChI=1S/C22H17NO/c24-22(21-13-7-8-18-23-21,16-14-19-9-3-1-4-10-19)17-15-20-11-5-2-6-12-20/h1-14,16,18,24H/b16-14+
InChIKeyARSDCKUAROGSSM-JQIJEIRASA-N
MW311.38 g/mol
LogP4.03
Rot. Bonds3

About (E)-1,5-diphenyl-3-pyridin-2-ylpent-1-en-4-yn-3-ol

(E)-1,5-diphenyl-3-pyridin-2-ylpent-1-en-4-yn-3-ol (PubChem CID 11702330) has the molecular formula C22H17NO and a molecular weight of 311.38 g/mol. Its IUPAC name is (E)-1,5-diphenyl-3-pyridin-2-ylpent-1-en-4-yn-3-ol.

Molecular Properties

Compound Name(E)-1,5-diphenyl-3-pyridin-2-ylpent-1-en-4-yn-3-ol
PubChem CID11702330
Molecular FormulaC22H17NO
Molecular Weight311.38 g/mol
Exact Mass311.13
IUPAC Name(E)-1,5-diphenyl-3-pyridin-2-ylpent-1-en-4-yn-3-ol
SMILESOC(C#Cc1ccccc1)(/C=C/c1ccccc1)c1ccccn1
InChIInChI=1S/C22H17NO/c24-22(21-13-7-8-18-23-21,16-14-19-9-3-1-4-10-19)17-15-20-11-5-2-6-12-20/h1-14,16,18,24H/b16-14+
InChIKeyARSDCKUAROGSSM-JQIJEIRASA-N
XLogP4.03
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(cyclohexen-1-yl)-1,5-diphenylpent-1-en-4-yn-3-ol
CID 11522533
1-imidazol-1-yl-4-phenyl-2-pyridin-2-ylbut-3-en-2-ol
CID 53397777
(E,2R)-1-imidazol-1-yl-4-phenyl-2-pyridin-2-ylbut-3-en-2-ol
CID 92754338
(4E,6E)-1-(4-chlorophenyl)-3,7-diphenylhepta-4,6-dien-1-yn-3-ol
CID 102527134
(2S)-4-(4-methoxyphenyl)-2-pyridin-2-ylbut-3-yn-2-ol
CID 102473225
2-(2-phenylethynyl)propane-1,2,3-triol
CID 166174399
2-amino-4-phenylbut-3-yn-2-ol
CID 143801475
2-pyridin-2-ylbut-3-yn-2-ol
CID 16762502
dichloro(pyridin-2-yl)methanol;zirconium
CID 174374690
(E)-4-phenyl-2-trimethylsilylbut-3-en-2-ol
CID 102406299
1-(2-phenylethynyl)-4-[(Z)-2-[4-(2-phenylethynyl)phenyl]ethenyl]benzene
CID 5379616
(Z)-1,1,3-triphenylprop-2-en-1-ol
CID 92856099

Frequently Asked Questions

What is the IUPAC name of (E)-1,5-diphenyl-3-pyridin-2-ylpent-1-en-4-yn-3-ol?
The IUPAC name of (E)-1,5-diphenyl-3-pyridin-2-ylpent-1-en-4-yn-3-ol (CID 11702330) is (E)-1,5-diphenyl-3-pyridin-2-ylpent-1-en-4-yn-3-ol.
What is the SMILES notation for (E)-1,5-diphenyl-3-pyridin-2-ylpent-1-en-4-yn-3-ol?
The canonical SMILES for (E)-1,5-diphenyl-3-pyridin-2-ylpent-1-en-4-yn-3-ol is OC(C#Cc1ccccc1)(/C=C/c1ccccc1)c1ccccn1.
What is the InChIKey of (E)-1,5-diphenyl-3-pyridin-2-ylpent-1-en-4-yn-3-ol?
The InChIKey is ARSDCKUAROGSSM-JQIJEIRASA-N. The full InChI is InChI=1S/C22H17NO/c24-22(21-13-7-8-18-23-21,16-14-19-9-3-1-4-10-19)17-15-20-11-5-2-6-12-20/h1-14,16,18,24H/b16-14+.
What are the key properties of (E)-1,5-diphenyl-3-pyridin-2-ylpent-1-en-4-yn-3-ol?
(E)-1,5-diphenyl-3-pyridin-2-ylpent-1-en-4-yn-3-ol has a molecular weight of 311.38 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,5-diphenyl-3-pyridin-2-ylpent-1-en-4-yn-3-ol is sourced from PubChem (CID 11702330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).