(E)-5-phenylsulfanylpent-4-en-1-ol

C11H14OS — CID 11275584

IUPAC(E)-5-phenylsulfanylpent-4-en-1-ol
SMILESOCCC/C=C/Sc1ccccc1
InChIInChI=1S/C11H14OS/c12-9-5-2-6-10-13-11-7-3-1-4-8-11/h1,3-4,6-8,10,12H,2,5,9H2/b10-6+
InChIKeyPJZRNXUYKKIAOK-UXBLZVDNSA-N
MW194.30 g/mol
LogP3.06
Rot. Bonds5

About (E)-5-phenylsulfanylpent-4-en-1-ol

(E)-5-phenylsulfanylpent-4-en-1-ol (PubChem CID 11275584) has the molecular formula C11H14OS and a molecular weight of 194.30 g/mol. Its IUPAC name is (E)-5-phenylsulfanylpent-4-en-1-ol.

Molecular Properties

Compound Name(E)-5-phenylsulfanylpent-4-en-1-ol
PubChem CID11275584
Molecular FormulaC11H14OS
Molecular Weight194.30 g/mol
Exact Mass194.08
IUPAC Name(E)-5-phenylsulfanylpent-4-en-1-ol
SMILESOCCC/C=C/Sc1ccccc1
InChIInChI=1S/C11H14OS/c12-9-5-2-6-10-13-11-7-3-1-4-8-11/h1,3-4,6-8,10,12H,2,5,9H2/b10-6+
InChIKeyPJZRNXUYKKIAOK-UXBLZVDNSA-N
XLogP3.06
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 ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-5-phenylsulfanylpent-4-en-1-ol?
The IUPAC name of (E)-5-phenylsulfanylpent-4-en-1-ol (CID 11275584) is (E)-5-phenylsulfanylpent-4-en-1-ol.
What is the SMILES notation for (E)-5-phenylsulfanylpent-4-en-1-ol?
The canonical SMILES for (E)-5-phenylsulfanylpent-4-en-1-ol is OCCC/C=C/Sc1ccccc1.
What is the InChIKey of (E)-5-phenylsulfanylpent-4-en-1-ol?
The InChIKey is PJZRNXUYKKIAOK-UXBLZVDNSA-N. The full InChI is InChI=1S/C11H14OS/c12-9-5-2-6-10-13-11-7-3-1-4-8-11/h1,3-4,6-8,10,12H,2,5,9H2/b10-6+.
What are the key properties of (E)-5-phenylsulfanylpent-4-en-1-ol?
(E)-5-phenylsulfanylpent-4-en-1-ol has a molecular weight of 194.30 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-phenylsulfanylpent-4-en-1-ol is sourced from PubChem (CID 11275584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).