1-(2,4-dimethylphenyl)-2-(2-fluorophenyl)sulfanylethanol

C16H17FOS — CID 66052290

IUPAC1-(2,4-dimethylphenyl)-2-(2-fluorophenyl)sulfanylethanol
SMILESCc1ccc(C(O)CSc2ccccc2F)c(C)c1
InChIInChI=1S/C16H17FOS/c1-11-7-8-13(12(2)9-11)15(18)10-19-16-6-4-3-5-14(16)17/h3-9,15,18H,10H2,1-2H3
InChIKeyBBOOUOJVHISMJD-UHFFFAOYSA-N
MW276.38 g/mol
LogP4.27
Rot. Bonds4

About 1-(2,4-dimethylphenyl)-2-(2-fluorophenyl)sulfanylethanol

1-(2,4-dimethylphenyl)-2-(2-fluorophenyl)sulfanylethanol (PubChem CID 66052290) has the molecular formula C16H17FOS and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-2-(2-fluorophenyl)sulfanylethanol.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-2-(2-fluorophenyl)sulfanylethanol
PubChem CID66052290
Molecular FormulaC16H17FOS
Molecular Weight276.38 g/mol
Exact Mass276.10
IUPAC Name1-(2,4-dimethylphenyl)-2-(2-fluorophenyl)sulfanylethanol
SMILESCc1ccc(C(O)CSc2ccccc2F)c(C)c1
InChIInChI=1S/C16H17FOS/c1-11-7-8-13(12(2)9-11)15(18)10-19-16-6-4-3-5-14(16)17/h3-9,15,18H,10H2,1-2H3
InChIKeyBBOOUOJVHISMJD-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-(2,4-dimethylphenyl)-2-(4-methylphenyl)sulfanylethanol
CID 66064203
1-(2-fluorophenyl)-2-(2-methylphenyl)sulfanylethanol
CID 61228127
[1-(2,5-dimethylphenyl)-2-(2-fluorophenyl)sulfanylethyl]hydrazine
CID 105236186
1-(2,6-difluoro-3-methylphenyl)-2-(2-fluorophenyl)sulfanylethanol
CID 82823028
1-(2-fluoro-5-methylphenyl)-2-phenylsulfanylethanol
CID 65141877
2-(3-bromophenyl)sulfanyl-1-(2,4-dimethylphenyl)ethanol
CID 66161169
1-(2-ethoxyphenyl)-2-(2-fluorophenyl)sulfanylethanol
CID 66051325
1-(2,5-dimethylphenyl)-N-ethyl-2-(2-fluorophenyl)sulfanylethanamine
CID 64620085
2-(2-chlorophenyl)sulfanyl-1-(5-fluoro-2-methylphenyl)ethanol
CID 66153341
2-[[4-(2,4-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(2-fluorophenyl)ethanol
CID 110885129
(1R)-3-amino-1-(2,4-dimethylphenyl)propan-1-ol
CID 93182212
2-(2-fluorophenyl)sulfanyl-1-(4-methoxy-2-methylphenyl)ethanamine
CID 66053846

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-2-(2-fluorophenyl)sulfanylethanol?
The IUPAC name of 1-(2,4-dimethylphenyl)-2-(2-fluorophenyl)sulfanylethanol (CID 66052290) is 1-(2,4-dimethylphenyl)-2-(2-fluorophenyl)sulfanylethanol.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-2-(2-fluorophenyl)sulfanylethanol?
The canonical SMILES for 1-(2,4-dimethylphenyl)-2-(2-fluorophenyl)sulfanylethanol is Cc1ccc(C(O)CSc2ccccc2F)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-2-(2-fluorophenyl)sulfanylethanol?
The InChIKey is BBOOUOJVHISMJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FOS/c1-11-7-8-13(12(2)9-11)15(18)10-19-16-6-4-3-5-14(16)17/h3-9,15,18H,10H2,1-2H3.
What are the key properties of 1-(2,4-dimethylphenyl)-2-(2-fluorophenyl)sulfanylethanol?
1-(2,4-dimethylphenyl)-2-(2-fluorophenyl)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-(2,4-dimethylphenyl)-2-(2-fluorophenyl)sulfanylethanol is sourced from PubChem (CID 66052290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).