2-(1-benzothiophen-5-yl)-6-propoxyisoindol-1-ol

C19H17NO2S — CID 91034080

IUPAC2-(1-benzothiophen-5-yl)-6-propoxyisoindol-1-ol
SMILESCCCOc1ccc2cn(-c3ccc4sccc4c3)c(O)c2c1
InChIInChI=1S/C19H17NO2S/c1-2-8-22-16-5-3-14-12-20(19(21)17(14)11-16)15-4-6-18-13(10-15)7-9-23-18/h3-7,9-12,21H,2,8H2,1H3
InChIKeyRSMIDGLNGWBUPM-UHFFFAOYSA-N
MW323.42 g/mol
LogP5.34
Rot. Bonds4

About 2-(1-benzothiophen-5-yl)-6-propoxyisoindol-1-ol

2-(1-benzothiophen-5-yl)-6-propoxyisoindol-1-ol (PubChem CID 91034080) has the molecular formula C19H17NO2S and a molecular weight of 323.42 g/mol. Its IUPAC name is 2-(1-benzothiophen-5-yl)-6-propoxyisoindol-1-ol.

Molecular Properties

Compound Name2-(1-benzothiophen-5-yl)-6-propoxyisoindol-1-ol
PubChem CID91034080
Molecular FormulaC19H17NO2S
Molecular Weight323.42 g/mol
Exact Mass323.10
IUPAC Name2-(1-benzothiophen-5-yl)-6-propoxyisoindol-1-ol
SMILESCCCOc1ccc2cn(-c3ccc4sccc4c3)c(O)c2c1
InChIInChI=1S/C19H17NO2S/c1-2-8-22-16-5-3-14-12-20(19(21)17(14)11-16)15-4-6-18-13(10-15)7-9-23-18/h3-7,9-12,21H,2,8H2,1H3
InChIKeyRSMIDGLNGWBUPM-UHFFFAOYSA-N
XLogP5.34
TPSA34.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.42
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-butoxy-1-benzothiophene
CID 23058090
6-methoxy-2-(1-propylindol-6-yl)isoindol-1-ol
CID 90912330
2,8-dipentoxydibenzothiophene
CID 141427401
1-(1-benzothiophen-5-yl)-N-propylpiperidin-3-amine
CID 65475550
2-chloro-6-propoxynaphthalene
CID 125116367
1-benzothiophen-5-yl acetate
CID 15501124
1-(1-benzothiophen-5-yl)-4-(2-hydroxyethyl)pyrazole-3-carboxylic acid
CID 65474128
ethane;methylidenevanadium;2-methyl-5-propoxy-1-benzothiophene
CID 143693088
N-butyl-4-methyl-1-(4-propoxyphenyl)imidazol-2-amine
CID 106569642
2-bromo-6-propoxy-1,3-benzothiazole
CID 97033817
1-(3-propoxyphenyl)indole-4-carboxylic acid
CID 178035433
1-benzothiophen-7-yl-(3-propoxyphenyl)methanol
CID 81131839

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-5-yl)-6-propoxyisoindol-1-ol?
The IUPAC name of 2-(1-benzothiophen-5-yl)-6-propoxyisoindol-1-ol (CID 91034080) is 2-(1-benzothiophen-5-yl)-6-propoxyisoindol-1-ol.
What is the SMILES notation for 2-(1-benzothiophen-5-yl)-6-propoxyisoindol-1-ol?
The canonical SMILES for 2-(1-benzothiophen-5-yl)-6-propoxyisoindol-1-ol is CCCOc1ccc2cn(-c3ccc4sccc4c3)c(O)c2c1.
What is the InChIKey of 2-(1-benzothiophen-5-yl)-6-propoxyisoindol-1-ol?
The InChIKey is RSMIDGLNGWBUPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO2S/c1-2-8-22-16-5-3-14-12-20(19(21)17(14)11-16)15-4-6-18-13(10-15)7-9-23-18/h3-7,9-12,21H,2,8H2,1H3.
What are the key properties of 2-(1-benzothiophen-5-yl)-6-propoxyisoindol-1-ol?
2-(1-benzothiophen-5-yl)-6-propoxyisoindol-1-ol has a molecular weight of 323.42 g/mol, XLogP of 5.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-5-yl)-6-propoxyisoindol-1-ol is sourced from PubChem (CID 91034080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).