1-(2-fluorophenyl)-5-methylsulfanylpentan-2-ol

C12H17FOS — CID 70305624

IUPAC1-(2-fluorophenyl)-5-methylsulfanylpentan-2-ol
SMILESCSCCCC(O)Cc1ccccc1F
InChIInChI=1S/C12H17FOS/c1-15-8-4-6-11(14)9-10-5-2-3-7-12(10)13/h2-3,5,7,11,14H,4,6,8-9H2,1H3
InChIKeyKFDOYLWUXUQWGS-UHFFFAOYSA-N
MW228.33 g/mol
LogP2.87
Rot. Bonds6

About 1-(2-fluorophenyl)-5-methylsulfanylpentan-2-ol

1-(2-fluorophenyl)-5-methylsulfanylpentan-2-ol (PubChem CID 70305624) has the molecular formula C12H17FOS and a molecular weight of 228.33 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-5-methylsulfanylpentan-2-ol.

Molecular Properties

Compound Name1-(2-fluorophenyl)-5-methylsulfanylpentan-2-ol
PubChem CID70305624
Molecular FormulaC12H17FOS
Molecular Weight228.33 g/mol
Exact Mass228.10
IUPAC Name1-(2-fluorophenyl)-5-methylsulfanylpentan-2-ol
SMILESCSCCCC(O)Cc1ccccc1F
InChIInChI=1S/C12H17FOS/c1-15-8-4-6-11(14)9-10-5-2-3-7-12(10)13/h2-3,5,7,11,14H,4,6,8-9H2,1H3
InChIKeyKFDOYLWUXUQWGS-UHFFFAOYSA-N
XLogP2.87
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.33
LogP ≤ 52.87
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

1-(2-bromophenyl)-5-methylsulfanylpentan-2-ol
CID 103089901
1-(2-fluorophenyl)octan-2-ol
CID 62606363
1-(2-fluorophenyl)-5-methoxypentan-2-ol
CID 62606164
1-(2-chloro-4-fluorophenyl)-5-methylsulfanylpentan-2-ol
CID 103089856
1-(2,6-difluorophenyl)-4-methylsulfanylbutan-1-ol
CID 103089788
4-ethoxy-1-(2-fluorophenyl)butan-2-ol
CID 62607286
1-ethylsulfanyl-3-(2-fluorophenyl)propan-2-ol
CID 65130556
1-(4-chloro-2-fluorophenyl)-4-methylsulfanylbutan-2-ol
CID 114852183
1-amino-3-(2-fluorophenyl)propan-2-ol
CID 64982726
1-(2-fluorophenyl)-3-(methylamino)propan-2-ol
CID 64989565
1-(2,6-dichlorophenyl)-5-methylsulfanylpentan-2-ol
CID 103089720
2-(2-fluorophenyl)-1-(4-methylsulfanylphenyl)ethanol
CID 79206674

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-5-methylsulfanylpentan-2-ol?
The IUPAC name of 1-(2-fluorophenyl)-5-methylsulfanylpentan-2-ol (CID 70305624) is 1-(2-fluorophenyl)-5-methylsulfanylpentan-2-ol.
What is the SMILES notation for 1-(2-fluorophenyl)-5-methylsulfanylpentan-2-ol?
The canonical SMILES for 1-(2-fluorophenyl)-5-methylsulfanylpentan-2-ol is CSCCCC(O)Cc1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-5-methylsulfanylpentan-2-ol?
The InChIKey is KFDOYLWUXUQWGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FOS/c1-15-8-4-6-11(14)9-10-5-2-3-7-12(10)13/h2-3,5,7,11,14H,4,6,8-9H2,1H3.
What are the key properties of 1-(2-fluorophenyl)-5-methylsulfanylpentan-2-ol?
1-(2-fluorophenyl)-5-methylsulfanylpentan-2-ol has a molecular weight of 228.33 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-5-methylsulfanylpentan-2-ol is sourced from PubChem (CID 70305624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).