1-(5-fluoro-2-methylphenyl)-2-methylsulfanylethanol

C10H13FOS — CID 62791337

IUPAC1-(5-fluoro-2-methylphenyl)-2-methylsulfanylethanol
SMILESCSCC(O)c1cc(F)ccc1C
InChIInChI=1S/C10H13FOS/c1-7-3-4-8(11)5-9(7)10(12)6-13-2/h3-5,10,12H,6H2,1-2H3
InChIKeyXLBDYQVDPDRYTB-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.53
Rot. Bonds3

About 1-(5-fluoro-2-methylphenyl)-2-methylsulfanylethanol

1-(5-fluoro-2-methylphenyl)-2-methylsulfanylethanol (PubChem CID 62791337) has the molecular formula C10H13FOS and a molecular weight of 200.28 g/mol. Its IUPAC name is 1-(5-fluoro-2-methylphenyl)-2-methylsulfanylethanol.

Molecular Properties

Compound Name1-(5-fluoro-2-methylphenyl)-2-methylsulfanylethanol
PubChem CID62791337
Molecular FormulaC10H13FOS
Molecular Weight200.28 g/mol
Exact Mass200.07
IUPAC Name1-(5-fluoro-2-methylphenyl)-2-methylsulfanylethanol
SMILESCSCC(O)c1cc(F)ccc1C
InChIInChI=1S/C10H13FOS/c1-7-3-4-8(11)5-9(7)10(12)6-13-2/h3-5,10,12H,6H2,1-2H3
InChIKeyXLBDYQVDPDRYTB-UHFFFAOYSA-N
XLogP2.53
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-fluoro-2-methylphenyl)-4-methylsulfanylbutan-1-ol
CID 103090072
1-(2,3-difluoro-4-methylphenyl)-2-methylsulfanylethanol
CID 107512869
2-(2-chlorophenyl)sulfanyl-1-(5-fluoro-2-methylphenyl)ethanol
CID 66153341
3,3,3-trifluoro-1-(5-fluoro-2-methylphenyl)propan-1-ol
CID 62791994
1-(5-fluoro-2-methylphenyl)-4-methylpentan-1-ol
CID 62606774
(1R)-1-(5-fluoro-2-methylphenyl)but-3-en-1-ol
CID 94420605
2-(3-chlorophenyl)sulfanyl-1-(5-fluoro-2-methylphenyl)ethanol
CID 66148548
1-(5-fluoro-2-methylphenyl)pent-4-yn-1-ol
CID 63657486
1-(5-fluoro-2-methylphenyl)-4-methoxybutan-1-ol
CID 62606584
2-(2-chloro-4-fluorophenyl)-1-(5-fluoro-2-methylphenyl)ethanol
CID 62607143
2-cyclopentyl-1-(5-fluoro-2-methylphenyl)ethanol
CID 62608273
CID 170791965
CID 170791965

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methylphenyl)-2-methylsulfanylethanol?
The IUPAC name of 1-(5-fluoro-2-methylphenyl)-2-methylsulfanylethanol (CID 62791337) is 1-(5-fluoro-2-methylphenyl)-2-methylsulfanylethanol.
What is the SMILES notation for 1-(5-fluoro-2-methylphenyl)-2-methylsulfanylethanol?
The canonical SMILES for 1-(5-fluoro-2-methylphenyl)-2-methylsulfanylethanol is CSCC(O)c1cc(F)ccc1C.
What is the InChIKey of 1-(5-fluoro-2-methylphenyl)-2-methylsulfanylethanol?
The InChIKey is XLBDYQVDPDRYTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FOS/c1-7-3-4-8(11)5-9(7)10(12)6-13-2/h3-5,10,12H,6H2,1-2H3.
What are the key properties of 1-(5-fluoro-2-methylphenyl)-2-methylsulfanylethanol?
1-(5-fluoro-2-methylphenyl)-2-methylsulfanylethanol has a molecular weight of 200.28 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-methylphenyl)-2-methylsulfanylethanol is sourced from PubChem (CID 62791337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).