1-phenylsulfanylpentan-1-ol

C11H16OS — CID 67695218

IUPAC1-phenylsulfanylpentan-1-ol
SMILESCCCCC(O)Sc1ccccc1
InChIInChI=1S/C11H16OS/c1-2-3-9-11(12)13-10-7-5-4-6-8-10/h4-8,11-12H,2-3,9H2,1H3
InChIKeyLSTWCBZJLSLBPV-UHFFFAOYSA-N
MW196.32 g/mol
LogP3.29
Rot. Bonds5

About 1-phenylsulfanylpentan-1-ol

1-phenylsulfanylpentan-1-ol (PubChem CID 67695218) has the molecular formula C11H16OS and a molecular weight of 196.32 g/mol. Its IUPAC name is 1-phenylsulfanylpentan-1-ol.

Molecular Properties

Compound Name1-phenylsulfanylpentan-1-ol
PubChem CID67695218
Molecular FormulaC11H16OS
Molecular Weight196.32 g/mol
Exact Mass196.09
IUPAC Name1-phenylsulfanylpentan-1-ol
SMILESCCCCC(O)Sc1ccccc1
InChIInChI=1S/C11H16OS/c1-2-3-9-11(12)13-10-7-5-4-6-8-10/h4-8,11-12H,2-3,9H2,1H3
InChIKeyLSTWCBZJLSLBPV-UHFFFAOYSA-N
XLogP3.29
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.32
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-phenylsulfanylpentan-1-ol?
The IUPAC name of 1-phenylsulfanylpentan-1-ol (CID 67695218) is 1-phenylsulfanylpentan-1-ol.
What is the SMILES notation for 1-phenylsulfanylpentan-1-ol?
The canonical SMILES for 1-phenylsulfanylpentan-1-ol is CCCCC(O)Sc1ccccc1.
What is the InChIKey of 1-phenylsulfanylpentan-1-ol?
The InChIKey is LSTWCBZJLSLBPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16OS/c1-2-3-9-11(12)13-10-7-5-4-6-8-10/h4-8,11-12H,2-3,9H2,1H3.
What are the key properties of 1-phenylsulfanylpentan-1-ol?
1-phenylsulfanylpentan-1-ol has a molecular weight of 196.32 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylsulfanylpentan-1-ol is sourced from PubChem (CID 67695218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).