2-(3-fluorophenyl)sulfanyl-1-(2-methylphenyl)ethanol

C15H15FOS — CID 66071238

IUPAC2-(3-fluorophenyl)sulfanyl-1-(2-methylphenyl)ethanol
SMILESCc1ccccc1C(O)CSc1cccc(F)c1
InChIInChI=1S/C15H15FOS/c1-11-5-2-3-8-14(11)15(17)10-18-13-7-4-6-12(16)9-13/h2-9,15,17H,10H2,1H3
InChIKeyBUMYDNZAMQYKOW-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.96
Rot. Bonds4

About 2-(3-fluorophenyl)sulfanyl-1-(2-methylphenyl)ethanol

2-(3-fluorophenyl)sulfanyl-1-(2-methylphenyl)ethanol (PubChem CID 66071238) has the molecular formula C15H15FOS and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-(3-fluorophenyl)sulfanyl-1-(2-methylphenyl)ethanol.

Molecular Properties

Compound Name2-(3-fluorophenyl)sulfanyl-1-(2-methylphenyl)ethanol
PubChem CID66071238
Molecular FormulaC15H15FOS
Molecular Weight262.35 g/mol
Exact Mass262.08
IUPAC Name2-(3-fluorophenyl)sulfanyl-1-(2-methylphenyl)ethanol
SMILESCc1ccccc1C(O)CSc1cccc(F)c1
InChIInChI=1S/C15H15FOS/c1-11-5-2-3-8-14(11)15(17)10-18-13-7-4-6-12(16)9-13/h2-9,15,17H,10H2,1H3
InChIKeyBUMYDNZAMQYKOW-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

2-(3-fluorophenyl)sulfanyl-1-(4-methyl-3-pyridinyl)ethanol
CID 66271190
1-(2,5-difluorophenyl)-2-(3-fluorophenyl)sulfanylethanol
CID 66072891
1-(3-fluoro-4-methylphenyl)-2-(3-fluorophenyl)sulfanylethanol
CID 107128528
2-(3-chlorophenyl)sulfanyl-1-(5-fluoro-2-methylphenyl)ethanol
CID 66148548
2-(4-chlorophenyl)sulfanyl-1-(2-methylphenyl)ethanol
CID 66145325
2-(3-fluorophenyl)sulfanyl-1-isoquinolin-8-ylethanol
CID 103143443
1-(3-fluorophenyl)-2-(2-methylphenyl)sulfanylethanol
CID 61223548
1-(2,5-dimethylphenyl)-2-(3-methylphenyl)sulfanylethanol
CID 66088132
(2R)-1-(3-fluorophenyl)sulfanylpropan-2-amine
CID 104889284
1-(2-fluorophenyl)-2-(2-methylphenyl)sulfanylethanol
CID 61228127
1-(2-chlorophenyl)-2-(3-fluorophenyl)sulfanylethanamine
CID 66070856
1-(2-fluoro-5-methylphenyl)-2-phenylsulfanylethanol
CID 65141877

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)sulfanyl-1-(2-methylphenyl)ethanol?
The IUPAC name of 2-(3-fluorophenyl)sulfanyl-1-(2-methylphenyl)ethanol (CID 66071238) is 2-(3-fluorophenyl)sulfanyl-1-(2-methylphenyl)ethanol.
What is the SMILES notation for 2-(3-fluorophenyl)sulfanyl-1-(2-methylphenyl)ethanol?
The canonical SMILES for 2-(3-fluorophenyl)sulfanyl-1-(2-methylphenyl)ethanol is Cc1ccccc1C(O)CSc1cccc(F)c1.
What is the InChIKey of 2-(3-fluorophenyl)sulfanyl-1-(2-methylphenyl)ethanol?
The InChIKey is BUMYDNZAMQYKOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FOS/c1-11-5-2-3-8-14(11)15(17)10-18-13-7-4-6-12(16)9-13/h2-9,15,17H,10H2,1H3.
What are the key properties of 2-(3-fluorophenyl)sulfanyl-1-(2-methylphenyl)ethanol?
2-(3-fluorophenyl)sulfanyl-1-(2-methylphenyl)ethanol 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 2-(3-fluorophenyl)sulfanyl-1-(2-methylphenyl)ethanol is sourced from PubChem (CID 66071238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).