5-phenyl-1-phenylsulfanylpent-1-yn-3-ol

C17H16OS — CID 10400850

IUPAC5-phenyl-1-phenylsulfanylpent-1-yn-3-ol
SMILESOC(C#CSc1ccccc1)CCc1ccccc1
InChIInChI=1S/C17H16OS/c18-16(12-11-15-7-3-1-4-8-15)13-14-19-17-9-5-2-6-10-17/h1-10,16,18H,11-12H2
InChIKeyPVYSQKKXIJKLGM-UHFFFAOYSA-N
MW268.38 g/mol
LogP3.73
Rot. Bonds4

About 5-phenyl-1-phenylsulfanylpent-1-yn-3-ol

5-phenyl-1-phenylsulfanylpent-1-yn-3-ol (PubChem CID 10400850) has the molecular formula C17H16OS and a molecular weight of 268.38 g/mol. Its IUPAC name is 5-phenyl-1-phenylsulfanylpent-1-yn-3-ol.

Molecular Properties

Compound Name5-phenyl-1-phenylsulfanylpent-1-yn-3-ol
PubChem CID10400850
Molecular FormulaC17H16OS
Molecular Weight268.38 g/mol
Exact Mass268.09
IUPAC Name5-phenyl-1-phenylsulfanylpent-1-yn-3-ol
SMILESOC(C#CSc1ccccc1)CCc1ccccc1
InChIInChI=1S/C17H16OS/c18-16(12-11-15-7-3-1-4-8-15)13-14-19-17-9-5-2-6-10-17/h1-10,16,18H,11-12H2
InChIKeyPVYSQKKXIJKLGM-UHFFFAOYSA-N
XLogP3.73
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-phenyl-1-phenylsulfanylpent-1-yn-3-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

6-[2-[2-(2-Methylsulfanylphenyl)ethynyl]phenyl]hex-5-yn-1-ol
CID 24205312
4-Phenyl-4-(phenylsulfanyl)butan-1-ol
CID 283796
2-Phenyl-2-phenylthioethanol
CID 11264720
1-Phenyl-3-(phenylthio)propan-1-ol
CID 12488334
(1R)-1-phenyl-3-phenylsulfanylpropan-1-ol
CID 93514489
(2R)-1-(4-methylphenyl)sulfanyloctan-2-ol
CID 11064924
1-(1-Phenylsulfanylcyclohexyl)butane-1,4-diol
CID 11242975
3-[Dimethyl-(1-phenylsulfanylcyclopropyl)silyl]-3-phenylpropan-1-ol
CID 11759668
1-Phenyl-2-phenylsulfanylprop-2-en-1-ol
CID 12462460
1-Cyclohex-2-en-1-yl-4-phenylbut-3-yn-2-ol
CID 12734633
(1S)-1-cyclohexyl-3-phenylprop-2-yn-1-ol
CID 10488834
alpha-(2-Phenylethynyl)cyclohexanemethanol
CID 11042123

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-1-phenylsulfanylpent-1-yn-3-ol?
The IUPAC name of 5-phenyl-1-phenylsulfanylpent-1-yn-3-ol (CID 10400850) is 5-phenyl-1-phenylsulfanylpent-1-yn-3-ol.
What is the SMILES notation for 5-phenyl-1-phenylsulfanylpent-1-yn-3-ol?
The canonical SMILES for 5-phenyl-1-phenylsulfanylpent-1-yn-3-ol is OC(C#CSc1ccccc1)CCc1ccccc1.
What is the InChIKey of 5-phenyl-1-phenylsulfanylpent-1-yn-3-ol?
The InChIKey is PVYSQKKXIJKLGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16OS/c18-16(12-11-15-7-3-1-4-8-15)13-14-19-17-9-5-2-6-10-17/h1-10,16,18H,11-12H2.
What are the key properties of 5-phenyl-1-phenylsulfanylpent-1-yn-3-ol?
5-phenyl-1-phenylsulfanylpent-1-yn-3-ol has a molecular weight of 268.38 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-1-phenylsulfanylpent-1-yn-3-ol is sourced from PubChem (CID 10400850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).