3-phenylsulfanylpent-4-en-1-ol

C11H14OS — CID 14141654

IUPAC3-phenylsulfanylpent-4-en-1-ol
SMILESC=CC(CCO)Sc1ccccc1
InChIInChI=1S/C11H14OS/c1-2-10(8-9-12)13-11-6-4-3-5-7-11/h2-7,10,12H,1,8-9H2
InChIKeyXQHUIDDUFDVTJL-UHFFFAOYSA-N
MW194.30 g/mol
LogP2.72
Rot. Bonds5

About 3-phenylsulfanylpent-4-en-1-ol

3-phenylsulfanylpent-4-en-1-ol (PubChem CID 14141654) has the molecular formula C11H14OS and a molecular weight of 194.30 g/mol. Its IUPAC name is 3-phenylsulfanylpent-4-en-1-ol.

Molecular Properties

Compound Name3-phenylsulfanylpent-4-en-1-ol
PubChem CID14141654
Molecular FormulaC11H14OS
Molecular Weight194.30 g/mol
Exact Mass194.08
IUPAC Name3-phenylsulfanylpent-4-en-1-ol
SMILESC=CC(CCO)Sc1ccccc1
InChIInChI=1S/C11H14OS/c1-2-10(8-9-12)13-11-6-4-3-5-7-11/h2-7,10,12H,1,8-9H2
InChIKeyXQHUIDDUFDVTJL-UHFFFAOYSA-N
XLogP2.72
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 59541
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CID 99788
S-Allylthiobenzene
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4-(Phenylthio)butanoic acid
CID 97324
3-(Phenylthio)-1,2-propanediol
CID 21231
2-(Phenylsulfonyl)ethanol
CID 30202
2-((Phenylsulfanyl)methyl)oxirane
CID 11094998
((2-Hydroxy-3-(phenylsulfanyl)propyl)sulfanyl)benzene
CID 12671306
Tetrahydro-2-(phenylthio)-2H-pyran
CID 89408
4-(p-Chlorophenylthio)butanol
CID 27288

Frequently Asked Questions

What is the IUPAC name of 3-phenylsulfanylpent-4-en-1-ol?
The IUPAC name of 3-phenylsulfanylpent-4-en-1-ol (CID 14141654) is 3-phenylsulfanylpent-4-en-1-ol.
What is the SMILES notation for 3-phenylsulfanylpent-4-en-1-ol?
The canonical SMILES for 3-phenylsulfanylpent-4-en-1-ol is C=CC(CCO)Sc1ccccc1.
What is the InChIKey of 3-phenylsulfanylpent-4-en-1-ol?
The InChIKey is XQHUIDDUFDVTJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14OS/c1-2-10(8-9-12)13-11-6-4-3-5-7-11/h2-7,10,12H,1,8-9H2.
What are the key properties of 3-phenylsulfanylpent-4-en-1-ol?
3-phenylsulfanylpent-4-en-1-ol has a molecular weight of 194.30 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylsulfanylpent-4-en-1-ol is sourced from PubChem (CID 14141654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).