1-(3-fluoro-4-methylphenyl)-2-(3-fluorophenyl)sulfanylethanol

C15H14F2OS — CID 107128528

IUPAC1-(3-fluoro-4-methylphenyl)-2-(3-fluorophenyl)sulfanylethanol
SMILESCc1ccc(C(O)CSc2cccc(F)c2)cc1F
InChIInChI=1S/C15H14F2OS/c1-10-5-6-11(7-14(10)17)15(18)9-19-13-4-2-3-12(16)8-13/h2-8,15,18H,9H2,1H3
InChIKeyDHPJIYKBDKQIRH-UHFFFAOYSA-N
MW280.34 g/mol
LogP4.10
Rot. Bonds4

About 1-(3-fluoro-4-methylphenyl)-2-(3-fluorophenyl)sulfanylethanol

1-(3-fluoro-4-methylphenyl)-2-(3-fluorophenyl)sulfanylethanol (PubChem CID 107128528) has the molecular formula C15H14F2OS and a molecular weight of 280.34 g/mol. Its IUPAC name is 1-(3-fluoro-4-methylphenyl)-2-(3-fluorophenyl)sulfanylethanol.

Molecular Properties

Compound Name1-(3-fluoro-4-methylphenyl)-2-(3-fluorophenyl)sulfanylethanol
PubChem CID107128528
Molecular FormulaC15H14F2OS
Molecular Weight280.34 g/mol
Exact Mass280.07
IUPAC Name1-(3-fluoro-4-methylphenyl)-2-(3-fluorophenyl)sulfanylethanol
SMILESCc1ccc(C(O)CSc2cccc(F)c2)cc1F
InChIInChI=1S/C15H14F2OS/c1-10-5-6-11(7-14(10)17)15(18)9-19-13-4-2-3-12(16)8-13/h2-8,15,18H,9H2,1H3
InChIKeyDHPJIYKBDKQIRH-UHFFFAOYSA-N
XLogP4.10
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-fluoro-4-methylphenyl)-2-(3-methylphenyl)sulfanylethanol
CID 107128531
2-(3-bromophenyl)sulfanyl-1-(3-fluoro-4-methylphenyl)ethanol
CID 107128535
2-(3-fluorophenyl)sulfanyl-1-(2-methylphenyl)ethanol
CID 66071238
1-(2,5-difluorophenyl)-2-(3-fluorophenyl)sulfanylethanol
CID 66072891
2-(3-fluorophenyl)sulfanyl-1-(4-methyl-3-pyridinyl)ethanol
CID 66271190
2-(3-bromophenyl)sulfanyl-1-(3-fluorophenyl)ethanol
CID 66160966
1-(3-fluorophenyl)-2-(2-methylphenyl)sulfanylethanol
CID 61223548
2-(3-chlorophenyl)sulfanyl-1-(5-fluoro-2-methylphenyl)ethanol
CID 66148548
1-(3-fluorophenyl)sulfanyl-3-propan-2-yloxypropan-2-ol
CID 79566382
1-(3-chloro-4-fluorophenyl)-2-(3-chlorophenyl)sulfanylethanol
CID 66148550
1-(3-bromo-4-methylphenyl)-2-(3-chlorophenyl)sulfanylethanol
CID 107915663
2-(3-fluorophenyl)sulfanyl-1-pyrazin-2-ylethanol
CID 66070411

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methylphenyl)-2-(3-fluorophenyl)sulfanylethanol?
The IUPAC name of 1-(3-fluoro-4-methylphenyl)-2-(3-fluorophenyl)sulfanylethanol (CID 107128528) is 1-(3-fluoro-4-methylphenyl)-2-(3-fluorophenyl)sulfanylethanol.
What is the SMILES notation for 1-(3-fluoro-4-methylphenyl)-2-(3-fluorophenyl)sulfanylethanol?
The canonical SMILES for 1-(3-fluoro-4-methylphenyl)-2-(3-fluorophenyl)sulfanylethanol is Cc1ccc(C(O)CSc2cccc(F)c2)cc1F.
What is the InChIKey of 1-(3-fluoro-4-methylphenyl)-2-(3-fluorophenyl)sulfanylethanol?
The InChIKey is DHPJIYKBDKQIRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2OS/c1-10-5-6-11(7-14(10)17)15(18)9-19-13-4-2-3-12(16)8-13/h2-8,15,18H,9H2,1H3.
What are the key properties of 1-(3-fluoro-4-methylphenyl)-2-(3-fluorophenyl)sulfanylethanol?
1-(3-fluoro-4-methylphenyl)-2-(3-fluorophenyl)sulfanylethanol has a molecular weight of 280.34 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methylphenyl)-2-(3-fluorophenyl)sulfanylethanol is sourced from PubChem (CID 107128528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).