1-(4-sulfanylphenyl)cyclopentan-1-ol

C11H14OS — CID 123677062

IUPAC1-(4-sulfanylphenyl)cyclopentan-1-ol
SMILESOC1(c2ccc(S)cc2)CCCC1
InChIInChI=1S/C11H14OS/c12-11(7-1-2-8-11)9-3-5-10(13)6-4-9/h3-6,12-13H,1-2,7-8H2
InChIKeyVJJPAHULTPPPTD-UHFFFAOYSA-N
MW194.30 g/mol
LogP2.74
Rot. Bonds1

About 1-(4-sulfanylphenyl)cyclopentan-1-ol

1-(4-sulfanylphenyl)cyclopentan-1-ol (PubChem CID 123677062) has the molecular formula C11H14OS and a molecular weight of 194.30 g/mol. Its IUPAC name is 1-(4-sulfanylphenyl)cyclopentan-1-ol.

Molecular Properties

Compound Name1-(4-sulfanylphenyl)cyclopentan-1-ol
PubChem CID123677062
Molecular FormulaC11H14OS
Molecular Weight194.30 g/mol
Exact Mass194.08
IUPAC Name1-(4-sulfanylphenyl)cyclopentan-1-ol
SMILESOC1(c2ccc(S)cc2)CCCC1
InChIInChI=1S/C11H14OS/c12-11(7-1-2-8-11)9-3-5-10(13)6-4-9/h3-6,12-13H,1-2,7-8H2
InChIKeyVJJPAHULTPPPTD-UHFFFAOYSA-N
XLogP2.74
TPSA20.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-sulfanylphenyl)cyclopentan-1-ol?
The IUPAC name of 1-(4-sulfanylphenyl)cyclopentan-1-ol (CID 123677062) is 1-(4-sulfanylphenyl)cyclopentan-1-ol.
What is the SMILES notation for 1-(4-sulfanylphenyl)cyclopentan-1-ol?
The canonical SMILES for 1-(4-sulfanylphenyl)cyclopentan-1-ol is OC1(c2ccc(S)cc2)CCCC1.
What is the InChIKey of 1-(4-sulfanylphenyl)cyclopentan-1-ol?
The InChIKey is VJJPAHULTPPPTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14OS/c12-11(7-1-2-8-11)9-3-5-10(13)6-4-9/h3-6,12-13H,1-2,7-8H2.
What are the key properties of 1-(4-sulfanylphenyl)cyclopentan-1-ol?
1-(4-sulfanylphenyl)cyclopentan-1-ol has a molecular weight of 194.30 g/mol, XLogP of 2.74, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-sulfanylphenyl)cyclopentan-1-ol is sourced from PubChem (CID 123677062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).