2-[5-(6-fluoro-1H-indol-3-yl)-2-methylsulfinylphenyl]ethanol

C17H16FNO2S — CID 126584312

IUPAC2-[5-(6-fluoro-1H-indol-3-yl)-2-methylsulfinylphenyl]ethanol
SMILESCS(=O)c1ccc(-c2c[nH]c3cc(F)ccc23)cc1CCO
InChIInChI=1S/C17H16FNO2S/c1-22(21)17-5-2-11(8-12(17)6-7-20)15-10-19-16-9-13(18)3-4-14(15)16/h2-5,8-10,19-20H,6-7H2,1H3
InChIKeyPMJIZRBGHGHURN-UHFFFAOYSA-N
MW317.39 g/mol
LogP3.25
Rot. Bonds4

About 2-[5-(6-fluoro-1H-indol-3-yl)-2-methylsulfinylphenyl]ethanol

2-[5-(6-fluoro-1H-indol-3-yl)-2-methylsulfinylphenyl]ethanol (PubChem CID 126584312) has the molecular formula C17H16FNO2S and a molecular weight of 317.39 g/mol. Its IUPAC name is 2-[5-(6-fluoro-1H-indol-3-yl)-2-methylsulfinylphenyl]ethanol.

Molecular Properties

Compound Name2-[5-(6-fluoro-1H-indol-3-yl)-2-methylsulfinylphenyl]ethanol
PubChem CID126584312
Molecular FormulaC17H16FNO2S
Molecular Weight317.39 g/mol
Exact Mass317.09
IUPAC Name2-[5-(6-fluoro-1H-indol-3-yl)-2-methylsulfinylphenyl]ethanol
SMILESCS(=O)c1ccc(-c2c[nH]c3cc(F)ccc23)cc1CCO
InChIInChI=1S/C17H16FNO2S/c1-22(21)17-5-2-11(8-12(17)6-7-20)15-10-19-16-9-13(18)3-4-14(15)16/h2-5,8-10,19-20H,6-7H2,1H3
InChIKeyPMJIZRBGHGHURN-UHFFFAOYSA-N
XLogP3.25
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[5-(6-fluoro-1H-indol-3-yl)-2-methylsulfinylphenyl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[5-(6-fluoro-1H-indol-3-yl)-3-(hydroxymethyl)-3H-1,2-benzothiazol-2-yl]ethanol
CID 122538374
3-[[2-ethyl-4-(6-fluoro-1H-indol-3-yl)phenyl]sulfonylamino]propanamide
CID 126574732
4-(6-fluoro-1H-indol-3-yl)-N-(1-hydroxypropan-2-yl)benzenesulfonamide
CID 126584383
4-(6-fluoro-1H-indol-3-yl)benzene-1,2-diamine;methane
CID 144924015
1-[4-(6-fluoro-1H-indol-3-yl)phenyl]sulfonyl-2-(hydroxymethyl)pyrrolidine-3,4-diol
CID 135285771
[(2S,4S)-4-fluoro-1-[4-(6-fluoro-1H-indol-3-yl)phenyl]sulfonylpyrrolidin-2-yl]methanol
CID 126583952
5-(6-fluoro-1H-indol-3-yl)-3-propyl-2,3-dihydro-1,2-benzothiazole 1,1-dioxide
CID 122529397
6-fluoro-1H-indole-3-sulfinic acid
CID 146256182
2-[5-(6-fluoro-1H-indol-3-yl)-3H-1,2-benzothiazol-2-yl]ethanol
CID 122538381
6-fluoro-3-(2-methyl-4-pyridinyl)-1H-indole
CID 160738701
5-(6-fluoro-1H-indol-3-yl)-3-propan-2-yl-2,3-dihydro-1,2-benzothiazole 1,1-dioxide
CID 122529278
[1-[4-(6-fluoro-1H-indol-3-yl)phenyl]sulfonylpiperazin-2-yl]methanol
CID 126583937

Frequently Asked Questions

What is the IUPAC name of 2-[5-(6-fluoro-1H-indol-3-yl)-2-methylsulfinylphenyl]ethanol?
The IUPAC name of 2-[5-(6-fluoro-1H-indol-3-yl)-2-methylsulfinylphenyl]ethanol (CID 126584312) is 2-[5-(6-fluoro-1H-indol-3-yl)-2-methylsulfinylphenyl]ethanol.
What is the SMILES notation for 2-[5-(6-fluoro-1H-indol-3-yl)-2-methylsulfinylphenyl]ethanol?
The canonical SMILES for 2-[5-(6-fluoro-1H-indol-3-yl)-2-methylsulfinylphenyl]ethanol is CS(=O)c1ccc(-c2c[nH]c3cc(F)ccc23)cc1CCO.
What is the InChIKey of 2-[5-(6-fluoro-1H-indol-3-yl)-2-methylsulfinylphenyl]ethanol?
The InChIKey is PMJIZRBGHGHURN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO2S/c1-22(21)17-5-2-11(8-12(17)6-7-20)15-10-19-16-9-13(18)3-4-14(15)16/h2-5,8-10,19-20H,6-7H2,1H3.
What are the key properties of 2-[5-(6-fluoro-1H-indol-3-yl)-2-methylsulfinylphenyl]ethanol?
2-[5-(6-fluoro-1H-indol-3-yl)-2-methylsulfinylphenyl]ethanol has a molecular weight of 317.39 g/mol, XLogP of 3.25, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(6-fluoro-1H-indol-3-yl)-2-methylsulfinylphenyl]ethanol is sourced from PubChem (CID 126584312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).