2-(3-fluorophenyl)sulfanyl-1-isoquinolin-8-ylethanol

C17H14FNOS — CID 103143443

IUPAC2-(3-fluorophenyl)sulfanyl-1-isoquinolin-8-ylethanol
SMILESOC(CSc1cccc(F)c1)c1cccc2ccncc12
InChIInChI=1S/C17H14FNOS/c18-13-4-2-5-14(9-13)21-11-17(20)15-6-1-3-12-7-8-19-10-16(12)15/h1-10,17,20H,11H2
InChIKeyPLPNGQFDIIMCNB-UHFFFAOYSA-N
MW299.37 g/mol
LogP4.20
Rot. Bonds4

About 2-(3-fluorophenyl)sulfanyl-1-isoquinolin-8-ylethanol

2-(3-fluorophenyl)sulfanyl-1-isoquinolin-8-ylethanol (PubChem CID 103143443) has the molecular formula C17H14FNOS and a molecular weight of 299.37 g/mol. Its IUPAC name is 2-(3-fluorophenyl)sulfanyl-1-isoquinolin-8-ylethanol.

Molecular Properties

Compound Name2-(3-fluorophenyl)sulfanyl-1-isoquinolin-8-ylethanol
PubChem CID103143443
Molecular FormulaC17H14FNOS
Molecular Weight299.37 g/mol
Exact Mass299.08
IUPAC Name2-(3-fluorophenyl)sulfanyl-1-isoquinolin-8-ylethanol
SMILESOC(CSc1cccc(F)c1)c1cccc2ccncc12
InChIInChI=1S/C17H14FNOS/c18-13-4-2-5-14(9-13)21-11-17(20)15-6-1-3-12-7-8-19-10-16(12)15/h1-10,17,20H,11H2
InChIKeyPLPNGQFDIIMCNB-UHFFFAOYSA-N
XLogP4.20
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-isoquinolin-8-yl-2-phenylsulfanylethanol
CID 103139302
2-(3-fluorophenyl)sulfanyl-1-(4-methyl-3-pyridinyl)ethanol
CID 66271190
2-(4-chlorophenyl)sulfanyl-1-isoquinolin-8-ylethanol
CID 103143448
1-isoquinolin-5-yl-2-(3-methylphenyl)sulfanylethanol
CID 66087167
2-(3-fluorophenyl)sulfanyl-1-pyrazin-2-ylethanol
CID 66070411
2-(3-fluorophenyl)sulfanyl-1-(2-methylphenyl)ethanol
CID 66071238
1-(2,5-difluorophenyl)-2-(3-fluorophenyl)sulfanylethanol
CID 66072891
1-isoquinolin-8-yl-2-phenylsulfanylethanamine
CID 103137237
isoquinolin-8-yl-(3,4,5-trifluorophenyl)methanol
CID 103139324
(5-fluoro-2-methylphenyl)-isoquinolin-8-ylmethanol
CID 103139004
(3-fluoro-5-methylphenyl)-isoquinolin-8-ylmethanol
CID 103139395
2-cyclohexylsulfanyl-1-isoquinolin-8-ylethanol
CID 103143427

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)sulfanyl-1-isoquinolin-8-ylethanol?
The IUPAC name of 2-(3-fluorophenyl)sulfanyl-1-isoquinolin-8-ylethanol (CID 103143443) is 2-(3-fluorophenyl)sulfanyl-1-isoquinolin-8-ylethanol.
What is the SMILES notation for 2-(3-fluorophenyl)sulfanyl-1-isoquinolin-8-ylethanol?
The canonical SMILES for 2-(3-fluorophenyl)sulfanyl-1-isoquinolin-8-ylethanol is OC(CSc1cccc(F)c1)c1cccc2ccncc12.
What is the InChIKey of 2-(3-fluorophenyl)sulfanyl-1-isoquinolin-8-ylethanol?
The InChIKey is PLPNGQFDIIMCNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNOS/c18-13-4-2-5-14(9-13)21-11-17(20)15-6-1-3-12-7-8-19-10-16(12)15/h1-10,17,20H,11H2.
What are the key properties of 2-(3-fluorophenyl)sulfanyl-1-isoquinolin-8-ylethanol?
2-(3-fluorophenyl)sulfanyl-1-isoquinolin-8-ylethanol has a molecular weight of 299.37 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)sulfanyl-1-isoquinolin-8-ylethanol is sourced from PubChem (CID 103143443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).