2-(4-fluorophenyl)sulfanyl-1-(3-methylphenyl)ethanol

C15H15FOS — CID 66071789

IUPAC2-(4-fluorophenyl)sulfanyl-1-(3-methylphenyl)ethanol
SMILESCc1cccc(C(O)CSc2ccc(F)cc2)c1
InChIInChI=1S/C15H15FOS/c1-11-3-2-4-12(9-11)15(17)10-18-14-7-5-13(16)6-8-14/h2-9,15,17H,10H2,1H3
InChIKeyYSVZIBHIZVRMMU-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.96
Rot. Bonds4

About 2-(4-fluorophenyl)sulfanyl-1-(3-methylphenyl)ethanol

2-(4-fluorophenyl)sulfanyl-1-(3-methylphenyl)ethanol (PubChem CID 66071789) has the molecular formula C15H15FOS and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfanyl-1-(3-methylphenyl)ethanol.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfanyl-1-(3-methylphenyl)ethanol
PubChem CID66071789
Molecular FormulaC15H15FOS
Molecular Weight262.35 g/mol
Exact Mass262.08
IUPAC Name2-(4-fluorophenyl)sulfanyl-1-(3-methylphenyl)ethanol
SMILESCc1cccc(C(O)CSc2ccc(F)cc2)c1
InChIInChI=1S/C15H15FOS/c1-11-3-2-4-12(9-11)15(17)10-18-14-7-5-13(16)6-8-14/h2-9,15,17H,10H2,1H3
InChIKeyYSVZIBHIZVRMMU-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-(4-fluorophenyl)sulfanyl-N-methyl-1-(3-methylphenyl)ethanamine
CID 64620706
1-(3-aminophenyl)-2-(3-methylphenyl)sulfanylethanol
CID 62267411
1-(3-fluoro-4-methylphenyl)-2-(3-methylphenyl)sulfanylethanol
CID 107128531
2-(4-fluorophenyl)sulfanyl-1-(5-methyl-1-benzofuran-2-yl)ethanol
CID 114726766
1-(3,5-dimethylphenyl)-2-phenylsulfanylethanol
CID 65142018
2-(3-methylphenyl)sulfanyl-1-thiophen-3-ylethanol
CID 66086004
(1S)-2-(4-methylphenyl)sulfanyl-1-naphthalen-2-ylethanol
CID 102244244
1-(5-fluoro-3-pyridinyl)-2-(4-methylphenyl)sulfanylethanol
CID 66065980
1-(3,5-dimethylphenyl)-2-(4-fluorophenyl)sulfanylethanamine
CID 66071589
1-(2,5-difluorophenyl)-2-(4-fluorophenyl)sulfanylethanol
CID 60980220
1-(3-methylphenyl)-3-(4-methylphenyl)sulfanylpropan-2-ol
CID 66065371
1-(3-fluorophenyl)-2-(2-methylphenyl)sulfanylethanol
CID 61223548

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfanyl-1-(3-methylphenyl)ethanol?
The IUPAC name of 2-(4-fluorophenyl)sulfanyl-1-(3-methylphenyl)ethanol (CID 66071789) is 2-(4-fluorophenyl)sulfanyl-1-(3-methylphenyl)ethanol.
What is the SMILES notation for 2-(4-fluorophenyl)sulfanyl-1-(3-methylphenyl)ethanol?
The canonical SMILES for 2-(4-fluorophenyl)sulfanyl-1-(3-methylphenyl)ethanol is Cc1cccc(C(O)CSc2ccc(F)cc2)c1.
What is the InChIKey of 2-(4-fluorophenyl)sulfanyl-1-(3-methylphenyl)ethanol?
The InChIKey is YSVZIBHIZVRMMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FOS/c1-11-3-2-4-12(9-11)15(17)10-18-14-7-5-13(16)6-8-14/h2-9,15,17H,10H2,1H3.
What are the key properties of 2-(4-fluorophenyl)sulfanyl-1-(3-methylphenyl)ethanol?
2-(4-fluorophenyl)sulfanyl-1-(3-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-(4-fluorophenyl)sulfanyl-1-(3-methylphenyl)ethanol is sourced from PubChem (CID 66071789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).