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

C16H17FOS — CID 107128531

IUPAC1-(3-fluoro-4-methylphenyl)-2-(3-methylphenyl)sulfanylethanol
SMILESCc1cccc(SCC(O)c2ccc(C)c(F)c2)c1
InChIInChI=1S/C16H17FOS/c1-11-4-3-5-14(8-11)19-10-16(18)13-7-6-12(2)15(17)9-13/h3-9,16,18H,10H2,1-2H3
InChIKeyDWTMGUBUIBUVCN-UHFFFAOYSA-N
MW276.38 g/mol
LogP4.27
Rot. Bonds4

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

1-(3-fluoro-4-methylphenyl)-2-(3-methylphenyl)sulfanylethanol (PubChem CID 107128531) has the molecular formula C16H17FOS and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-(3-fluoro-4-methylphenyl)-2-(3-methylphenyl)sulfanylethanol.

Molecular Properties

Compound Name1-(3-fluoro-4-methylphenyl)-2-(3-methylphenyl)sulfanylethanol
PubChem CID107128531
Molecular FormulaC16H17FOS
Molecular Weight276.38 g/mol
Exact Mass276.10
IUPAC Name1-(3-fluoro-4-methylphenyl)-2-(3-methylphenyl)sulfanylethanol
SMILESCc1cccc(SCC(O)c2ccc(C)c(F)c2)c1
InChIInChI=1S/C16H17FOS/c1-11-4-3-5-14(8-11)19-10-16(18)13-7-6-12(2)15(17)9-13/h3-9,16,18H,10H2,1-2H3
InChIKeyDWTMGUBUIBUVCN-UHFFFAOYSA-N
XLogP4.27
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-fluoro-4-methylphenyl)-2-(3-fluorophenyl)sulfanylethanol
CID 107128528
2-(3-bromophenyl)sulfanyl-1-(3-fluoro-4-methylphenyl)ethanol
CID 107128535
1-(2,5-dimethylphenyl)-2-(3-methylphenyl)sulfanylethanol
CID 66088132
1-(3-aminophenyl)-2-(3-methylphenyl)sulfanylethanol
CID 62267411
2-(4-fluorophenyl)sulfanyl-1-(3-methylphenyl)ethanol
CID 66071789
2-(3-methylphenyl)sulfanyl-1-thiophen-3-ylethanol
CID 66086004
1-(3-methylphenyl)sulfanylpropan-2-ol
CID 61244165
1-(2,2-difluoroethylsulfanyl)-3-methylbenzene
CID 130741881
1-(2,5-dimethylphenyl)-3-(3-methylphenyl)sulfanylpropan-2-ol
CID 66088143
1-(2-fluoro-5-methylphenyl)-2-phenylsulfanylethanol
CID 65141877
[1-(2,6-difluoro-3-methylphenyl)-2-(3-methylphenyl)sulfanylethyl]hydrazine
CID 105237121
1-(3-chloro-4-fluorophenyl)-2-(3-chlorophenyl)sulfanylethanol
CID 66148550

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methylphenyl)-2-(3-methylphenyl)sulfanylethanol?
The IUPAC name of 1-(3-fluoro-4-methylphenyl)-2-(3-methylphenyl)sulfanylethanol (CID 107128531) is 1-(3-fluoro-4-methylphenyl)-2-(3-methylphenyl)sulfanylethanol.
What is the SMILES notation for 1-(3-fluoro-4-methylphenyl)-2-(3-methylphenyl)sulfanylethanol?
The canonical SMILES for 1-(3-fluoro-4-methylphenyl)-2-(3-methylphenyl)sulfanylethanol is Cc1cccc(SCC(O)c2ccc(C)c(F)c2)c1.
What is the InChIKey of 1-(3-fluoro-4-methylphenyl)-2-(3-methylphenyl)sulfanylethanol?
The InChIKey is DWTMGUBUIBUVCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FOS/c1-11-4-3-5-14(8-11)19-10-16(18)13-7-6-12(2)15(17)9-13/h3-9,16,18H,10H2,1-2H3.
What are the key properties of 1-(3-fluoro-4-methylphenyl)-2-(3-methylphenyl)sulfanylethanol?
1-(3-fluoro-4-methylphenyl)-2-(3-methylphenyl)sulfanylethanol has a molecular weight of 276.38 g/mol, XLogP of 4.27, 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-methylphenyl)sulfanylethanol is sourced from PubChem (CID 107128531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).