5-(4-fluorophenyl)sulfanylpentan-1-ol

C11H15FOS — CID 62228825

IUPAC5-(4-fluorophenyl)sulfanylpentan-1-ol
SMILESOCCCCCSc1ccc(F)cc1
InChIInChI=1S/C11H15FOS/c12-10-4-6-11(7-5-10)14-9-3-1-2-8-13/h4-7,13H,1-3,8-9H2
InChIKeyUEJMWLLPNWIGQJ-UHFFFAOYSA-N
MW214.31 g/mol
LogP3.08
Rot. Bonds6

About 5-(4-fluorophenyl)sulfanylpentan-1-ol

5-(4-fluorophenyl)sulfanylpentan-1-ol (PubChem CID 62228825) has the molecular formula C11H15FOS and a molecular weight of 214.31 g/mol. Its IUPAC name is 5-(4-fluorophenyl)sulfanylpentan-1-ol.

Molecular Properties

Compound Name5-(4-fluorophenyl)sulfanylpentan-1-ol
PubChem CID62228825
Molecular FormulaC11H15FOS
Molecular Weight214.31 g/mol
Exact Mass214.08
IUPAC Name5-(4-fluorophenyl)sulfanylpentan-1-ol
SMILESOCCCCCSc1ccc(F)cc1
InChIInChI=1S/C11H15FOS/c12-10-4-6-11(7-5-10)14-9-3-1-2-8-13/h4-7,13H,1-3,8-9H2
InChIKeyUEJMWLLPNWIGQJ-UHFFFAOYSA-N
XLogP3.08
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 53.08
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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Related Compounds

6-[4-(1-hydroxyethyl)phenyl]sulfanylhexan-1-ol
CID 107707278
5-(2,5-difluorophenyl)sulfanylpentan-1-ol
CID 62226939
1,2,3,4,5-pentafluoro-6-[4-(4-fluorophenyl)sulfanylbutyl]benzene
CID 163297689
methyl 6-(4-fluorophenyl)sulfanylhexanoate
CID 135365967
3-[2-(4-fluorophenyl)sulfanylethyl-propan-2-ylamino]propan-1-ol
CID 62016181
2-(4-fluorophenyl)sulfanyl-N-(5-hydroxypentyl)acetamide
CID 107318521
O-[3-(4-fluorophenyl)sulfanylpropyl]hydroxylamine
CID 11830470
5-(4-fluorophenyl)sulfanyl-N-hydroxypentanamide
CID 137363853
2-[4-(4-hydroxybutylsulfanyl)phenyl]acetaldehyde
CID 87968710
3-(4-aminophenyl)sulfanylpropan-1-ol
CID 43299111
3-(4-bromophenyl)sulfanylpropan-1-ol
CID 43392834
2-chloro-4-(6-hydroxyhexylsulfanyl)phenol
CID 19745479

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)sulfanylpentan-1-ol?
The IUPAC name of 5-(4-fluorophenyl)sulfanylpentan-1-ol (CID 62228825) is 5-(4-fluorophenyl)sulfanylpentan-1-ol.
What is the SMILES notation for 5-(4-fluorophenyl)sulfanylpentan-1-ol?
The canonical SMILES for 5-(4-fluorophenyl)sulfanylpentan-1-ol is OCCCCCSc1ccc(F)cc1.
What is the InChIKey of 5-(4-fluorophenyl)sulfanylpentan-1-ol?
The InChIKey is UEJMWLLPNWIGQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FOS/c12-10-4-6-11(7-5-10)14-9-3-1-2-8-13/h4-7,13H,1-3,8-9H2.
What are the key properties of 5-(4-fluorophenyl)sulfanylpentan-1-ol?
5-(4-fluorophenyl)sulfanylpentan-1-ol has a molecular weight of 214.31 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)sulfanylpentan-1-ol is sourced from PubChem (CID 62228825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).