2-(4-fluorophenyl)sulfanyl-1-(5-methyl-1-benzofuran-2-yl)ethanol

C17H15FO2S — CID 114726766

IUPAC2-(4-fluorophenyl)sulfanyl-1-(5-methyl-1-benzofuran-2-yl)ethanol
SMILESCc1ccc2oc(C(O)CSc3ccc(F)cc3)cc2c1
InChIInChI=1S/C17H15FO2S/c1-11-2-7-16-12(8-11)9-17(20-16)15(19)10-21-14-5-3-13(18)4-6-14/h2-9,15,19H,10H2,1H3
InChIKeyIOTGLTZAIRZMNW-UHFFFAOYSA-N
MW302.37 g/mol
LogP4.71
Rot. Bonds4

About 2-(4-fluorophenyl)sulfanyl-1-(5-methyl-1-benzofuran-2-yl)ethanol

2-(4-fluorophenyl)sulfanyl-1-(5-methyl-1-benzofuran-2-yl)ethanol (PubChem CID 114726766) has the molecular formula C17H15FO2S and a molecular weight of 302.37 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfanyl-1-(5-methyl-1-benzofuran-2-yl)ethanol.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfanyl-1-(5-methyl-1-benzofuran-2-yl)ethanol
PubChem CID114726766
Molecular FormulaC17H15FO2S
Molecular Weight302.37 g/mol
Exact Mass302.08
IUPAC Name2-(4-fluorophenyl)sulfanyl-1-(5-methyl-1-benzofuran-2-yl)ethanol
SMILESCc1ccc2oc(C(O)CSc3ccc(F)cc3)cc2c1
InChIInChI=1S/C17H15FO2S/c1-11-2-7-16-12(8-11)9-17(20-16)15(19)10-21-14-5-3-13(18)4-6-14/h2-9,15,19H,10H2,1H3
InChIKeyIOTGLTZAIRZMNW-UHFFFAOYSA-N
XLogP4.71
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)sulfanyl-1-(5-methyl-1-benzofuran-2-yl)ethanol
CID 114726793
1-(5-methyl-1-benzofuran-2-yl)-2-(2-methylpropylsulfanyl)ethanol
CID 114726614
2-(3-fluorophenyl)sulfanyl-1-(5-methyl-1-benzofuran-2-yl)ethanamine
CID 114729395
2-(3-fluorophenyl)-1-(5-methyl-1-benzofuran-2-yl)ethanol
CID 63016416
2-(4-fluorophenyl)sulfanyl-1-(3-methylphenyl)ethanol
CID 66071789
3-ethylsulfanyl-1-(5-methyl-1-benzofuran-2-yl)propan-1-ol
CID 114724900
2-(3,5-dimethylphenyl)-1-(5-methyl-1-benzofuran-2-yl)ethanol
CID 114726442
(3-fluoro-5-methylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol
CID 114727112
5,5,5-trifluoro-1-(5-methyl-1-benzofuran-2-yl)pentan-1-ol
CID 105120593
(5-fluoro-2-methylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol
CID 114726422
2-(5-chloro-2-fluorophenyl)-1-(5-methyl-1-benzofuran-2-yl)ethanol
CID 103053486
1-(5-methyl-1-benzofuran-2-yl)-2-methylsulfanylethanamine
CID 114728409

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfanyl-1-(5-methyl-1-benzofuran-2-yl)ethanol?
The IUPAC name of 2-(4-fluorophenyl)sulfanyl-1-(5-methyl-1-benzofuran-2-yl)ethanol (CID 114726766) is 2-(4-fluorophenyl)sulfanyl-1-(5-methyl-1-benzofuran-2-yl)ethanol.
What is the SMILES notation for 2-(4-fluorophenyl)sulfanyl-1-(5-methyl-1-benzofuran-2-yl)ethanol?
The canonical SMILES for 2-(4-fluorophenyl)sulfanyl-1-(5-methyl-1-benzofuran-2-yl)ethanol is Cc1ccc2oc(C(O)CSc3ccc(F)cc3)cc2c1.
What is the InChIKey of 2-(4-fluorophenyl)sulfanyl-1-(5-methyl-1-benzofuran-2-yl)ethanol?
The InChIKey is IOTGLTZAIRZMNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FO2S/c1-11-2-7-16-12(8-11)9-17(20-16)15(19)10-21-14-5-3-13(18)4-6-14/h2-9,15,19H,10H2,1H3.
What are the key properties of 2-(4-fluorophenyl)sulfanyl-1-(5-methyl-1-benzofuran-2-yl)ethanol?
2-(4-fluorophenyl)sulfanyl-1-(5-methyl-1-benzofuran-2-yl)ethanol has a molecular weight of 302.37 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfanyl-1-(5-methyl-1-benzofuran-2-yl)ethanol is sourced from PubChem (CID 114726766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).