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

C15H15FOS — CID 61223548

IUPAC1-(3-fluorophenyl)-2-(2-methylphenyl)sulfanylethanol
SMILESCc1ccccc1SCC(O)c1cccc(F)c1
InChIInChI=1S/C15H15FOS/c1-11-5-2-3-8-15(11)18-10-14(17)12-6-4-7-13(16)9-12/h2-9,14,17H,10H2,1H3
InChIKeyMEKYBCJOBDYXLK-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.96
Rot. Bonds4

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

1-(3-fluorophenyl)-2-(2-methylphenyl)sulfanylethanol (PubChem CID 61223548) has the molecular formula C15H15FOS and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-2-(2-methylphenyl)sulfanylethanol.

Molecular Properties

Compound Name1-(3-fluorophenyl)-2-(2-methylphenyl)sulfanylethanol
PubChem CID61223548
Molecular FormulaC15H15FOS
Molecular Weight262.35 g/mol
Exact Mass262.08
IUPAC Name1-(3-fluorophenyl)-2-(2-methylphenyl)sulfanylethanol
SMILESCc1ccccc1SCC(O)c1cccc(F)c1
InChIInChI=1S/C15H15FOS/c1-11-5-2-3-8-15(11)18-10-14(17)12-6-4-7-13(16)9-12/h2-9,14,17H,10H2,1H3
InChIKeyMEKYBCJOBDYXLK-UHFFFAOYSA-N
XLogP3.96
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluorophenyl)-2-(2-methylphenyl)sulfanylethanol
CID 61228127
2-(3-fluorophenyl)sulfanyl-1-(2-methylphenyl)ethanol
CID 66071238
2-(2-methylphenyl)sulfanyl-1-(5-methylthiophen-3-yl)ethanol
CID 66097358
1-(3-fluoro-4-methylphenyl)-2-(3-fluorophenyl)sulfanylethanol
CID 107128528
2-(3-bromophenyl)sulfanyl-1-(3-fluorophenyl)ethanol
CID 66160966
1-(2,5-difluorophenyl)-3-(2-methylphenyl)sulfanylpropan-2-ol
CID 66096524
2-(2-amino-4-fluorophenyl)sulfanyl-1-phenylethanol
CID 60883938
1-(3-fluorophenyl)-2-(2-methylsulfanylanilino)ethanol
CID 107644735
2-(2,6-dimethylphenyl)sulfanyl-1-phenylethanol
CID 122222813
2-(4-fluorophenyl)sulfanyl-1-(3-methylphenyl)ethanol
CID 66071789
N-[2-(3-fluorophenyl)-2-hydroxyethyl]-2-(2-methylphenyl)acetamide
CID 51094283
1-(3-fluorophenyl)-2-[(2-methylpropan-2-yl)oxy]ethanol
CID 105078293

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-2-(2-methylphenyl)sulfanylethanol?
The IUPAC name of 1-(3-fluorophenyl)-2-(2-methylphenyl)sulfanylethanol (CID 61223548) is 1-(3-fluorophenyl)-2-(2-methylphenyl)sulfanylethanol.
What is the SMILES notation for 1-(3-fluorophenyl)-2-(2-methylphenyl)sulfanylethanol?
The canonical SMILES for 1-(3-fluorophenyl)-2-(2-methylphenyl)sulfanylethanol is Cc1ccccc1SCC(O)c1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-2-(2-methylphenyl)sulfanylethanol?
The InChIKey is MEKYBCJOBDYXLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FOS/c1-11-5-2-3-8-15(11)18-10-14(17)12-6-4-7-13(16)9-12/h2-9,14,17H,10H2,1H3.
What are the key properties of 1-(3-fluorophenyl)-2-(2-methylphenyl)sulfanylethanol?
1-(3-fluorophenyl)-2-(2-methylphenyl)sulfanylethanol has a molecular weight of 262.35 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-2-(2-methylphenyl)sulfanylethanol is sourced from PubChem (CID 61223548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).