2-(1-benzothiophen-5-yl)-6-propan-2-yloxyisoindol-1-ol

C19H17NO2S — CID 91120537

IUPAC2-(1-benzothiophen-5-yl)-6-propan-2-yloxyisoindol-1-ol
SMILESCC(C)Oc1ccc2cn(-c3ccc4sccc4c3)c(O)c2c1
InChIInChI=1S/C19H17NO2S/c1-12(2)22-16-5-3-14-11-20(19(21)17(14)10-16)15-4-6-18-13(9-15)7-8-23-18/h3-12,21H,1-2H3
InChIKeyIGWXXUHVYLPYSI-UHFFFAOYSA-N
MW323.42 g/mol
LogP5.34
Rot. Bonds3

About 2-(1-benzothiophen-5-yl)-6-propan-2-yloxyisoindol-1-ol

2-(1-benzothiophen-5-yl)-6-propan-2-yloxyisoindol-1-ol (PubChem CID 91120537) has the molecular formula C19H17NO2S and a molecular weight of 323.42 g/mol. Its IUPAC name is 2-(1-benzothiophen-5-yl)-6-propan-2-yloxyisoindol-1-ol.

Molecular Properties

Compound Name2-(1-benzothiophen-5-yl)-6-propan-2-yloxyisoindol-1-ol
PubChem CID91120537
Molecular FormulaC19H17NO2S
Molecular Weight323.42 g/mol
Exact Mass323.10
IUPAC Name2-(1-benzothiophen-5-yl)-6-propan-2-yloxyisoindol-1-ol
SMILESCC(C)Oc1ccc2cn(-c3ccc4sccc4c3)c(O)c2c1
InChIInChI=1S/C19H17NO2S/c1-12(2)22-16-5-3-14-11-20(19(21)17(14)10-16)15-4-6-18-13(9-15)7-8-23-18/h3-12,21H,1-2H3
InChIKeyIGWXXUHVYLPYSI-UHFFFAOYSA-N
XLogP5.34
TPSA34.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
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

2-(1-benzothiophen-5-yl)-6-propoxyisoindol-1-ol
CID 91034080
1-benzothiophen-5-yl acetate
CID 15501124
5-(difluoromethoxy)-1-benzothiophene
CID 90740549
6-chloro-2-(4-propan-2-ylphenyl)isoindol-1-ol
CID 91599809
6-methoxy-2-(4-methylquinolin-7-yl)isoindol-1-ol
CID 90806841
6-methoxy-2-(1-propylindol-6-yl)isoindol-1-ol
CID 90912330
N-[(3-propan-2-yloxyphenyl)methyl]-1-benzothiophen-5-amine
CID 63433990
3-N-(1-benzothiophen-5-yl)-5-propan-2-yloxybenzene-1,3-diamine
CID 80740277
1-[1-(1-benzothiophen-5-yl)triazol-4-yl]ethanamine
CID 114419361
2-methyl-7-propan-2-yloxyisoquinolin-1-one
CID 141403159
4-(1-benzothiophen-5-yl)-3-propan-2-yl-1H-1,2,4-triazole-5-thione
CID 65473939
1-(1-benzothiophen-5-yl)-5-methyltriazol-4-amine
CID 79508848

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-5-yl)-6-propan-2-yloxyisoindol-1-ol?
The IUPAC name of 2-(1-benzothiophen-5-yl)-6-propan-2-yloxyisoindol-1-ol (CID 91120537) is 2-(1-benzothiophen-5-yl)-6-propan-2-yloxyisoindol-1-ol.
What is the SMILES notation for 2-(1-benzothiophen-5-yl)-6-propan-2-yloxyisoindol-1-ol?
The canonical SMILES for 2-(1-benzothiophen-5-yl)-6-propan-2-yloxyisoindol-1-ol is CC(C)Oc1ccc2cn(-c3ccc4sccc4c3)c(O)c2c1.
What is the InChIKey of 2-(1-benzothiophen-5-yl)-6-propan-2-yloxyisoindol-1-ol?
The InChIKey is IGWXXUHVYLPYSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO2S/c1-12(2)22-16-5-3-14-11-20(19(21)17(14)10-16)15-4-6-18-13(9-15)7-8-23-18/h3-12,21H,1-2H3.
What are the key properties of 2-(1-benzothiophen-5-yl)-6-propan-2-yloxyisoindol-1-ol?
2-(1-benzothiophen-5-yl)-6-propan-2-yloxyisoindol-1-ol has a molecular weight of 323.42 g/mol, XLogP of 5.34, 3 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-propan-2-yloxyisoindol-1-ol is sourced from PubChem (CID 91120537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).