2-(1,3-benzodioxol-5-yl)isoindol-1-ol

C15H11NO3 — CID 91378137

IUPAC2-(1,3-benzodioxol-5-yl)isoindol-1-ol
SMILESOc1c2ccccc2cn1-c1ccc2c(c1)OCO2
InChIInChI=1S/C15H11NO3/c17-15-12-4-2-1-3-10(12)8-16(15)11-5-6-13-14(7-11)19-9-18-13/h1-8,17H,9H2
InChIKeyLKGLCOPFIYHHHR-UHFFFAOYSA-N
MW253.26 g/mol
LogP3.06
Rot. Bonds1

About 2-(1,3-benzodioxol-5-yl)isoindol-1-ol

2-(1,3-benzodioxol-5-yl)isoindol-1-ol (PubChem CID 91378137) has the molecular formula C15H11NO3 and a molecular weight of 253.26 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)isoindol-1-ol.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yl)isoindol-1-ol
PubChem CID91378137
Molecular FormulaC15H11NO3
Molecular Weight253.26 g/mol
Exact Mass253.07
IUPAC Name2-(1,3-benzodioxol-5-yl)isoindol-1-ol
SMILESOc1c2ccccc2cn1-c1ccc2c(c1)OCO2
InChIInChI=1S/C15H11NO3/c17-15-12-4-2-1-3-10(12)8-16(15)11-5-6-13-14(7-11)19-9-18-13/h1-8,17H,9H2
InChIKeyLKGLCOPFIYHHHR-UHFFFAOYSA-N
XLogP3.06
TPSA43.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,3-benzodioxol-5-yl)-1-oxo-N-propan-2-ylisoquinoline-4-carboxamide
CID 71754157
2-[1-(1,3-benzodioxol-5-yl)-2-methylimidazol-4-yl]acetic acid
CID 82301415
1-(1,3-benzodioxol-5-yl)-2-oxopyridine-3-carboxylic acid
CID 82121117
3-(1,3-benzodioxol-5-yl)-2-[2-(1,3-benzodioxol-5-yl)ethenyl]quinazolin-4-one
CID 3135733
1-(1,3-benzodioxol-5-yl)-6-fluoroindol-3-amine
CID 70844610
N-(1,3-benzodioxol-5-yl)naphthalene-1-carboxamide
CID 1154201
1-(1,3-benzodioxol-5-yl)-5-fluoro-6-hydroxypyrimidine-2,4-dione
CID 112599046
3-(2-aminophenyl)sulfanyl-1-(1,3-benzodioxol-5-yl)pyrrole-2,5-diol
CID 91899184
1-(1,3-benzodioxol-5-yl)-3,4-dihydroxypyrrole-2,5-dicarboxylic acid
CID 174733741
1-(1,3-benzodioxol-5-yl)piperidine
CID 15712176
1-(1,3-benzodioxol-5-yl)-3-phenylpiperazine
CID 64924639
1-(1,3-benzodioxol-5-yl)-4-oxocinnoline-3-carboxylic acid
CID 71821437

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yl)isoindol-1-ol?
The IUPAC name of 2-(1,3-benzodioxol-5-yl)isoindol-1-ol (CID 91378137) is 2-(1,3-benzodioxol-5-yl)isoindol-1-ol.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)isoindol-1-ol?
The canonical SMILES for 2-(1,3-benzodioxol-5-yl)isoindol-1-ol is Oc1c2ccccc2cn1-c1ccc2c(c1)OCO2.
What is the InChIKey of 2-(1,3-benzodioxol-5-yl)isoindol-1-ol?
The InChIKey is LKGLCOPFIYHHHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO3/c17-15-12-4-2-1-3-10(12)8-16(15)11-5-6-13-14(7-11)19-9-18-13/h1-8,17H,9H2.
What are the key properties of 2-(1,3-benzodioxol-5-yl)isoindol-1-ol?
2-(1,3-benzodioxol-5-yl)isoindol-1-ol has a molecular weight of 253.26 g/mol, XLogP of 3.06, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yl)isoindol-1-ol is sourced from PubChem (CID 91378137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).