2,3-dihydro-6-methoxy-1H-isoindol-5-ol

HCID 10241135

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: COc1cc2c(cc1O)CNC2
InChIKey: QAFDCJFBFFHATB-UHFFFAOYSA-N
Molecular formula: C9H11NO2
Average molar mass: 165.19 g/mol
Monoisotopic mass: 165.07897859

Names & identifiers

Preferred name: 2,3-dihydro-6-methoxy-1H-isoindol-5-ol
IUPAC: 6-methoxy-2,3-dihydro-1H-isoindol-5-ol

Names & synonyms

2,3-dihydro-6-methoxy-1H-isoindol-5-olSCHEMBL8794833QAFDCJFBFFHATB-UHFFFAOYSA-N2,3-Dihyro-6-methoxy-1H-isoindol-5-ol

Database identifiers

PubChem CID: 10241135

Properties

Computed structural properties

XLogP: 0.5
Topological polar surface area: 41.5 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 12
Formal charge: 0
Complexity: 163

Related reactions

8 records

New reaction record

HRID 274017 reaction equation

HRID 274017As productuspto-grants-1995_02

HRID 274025 reaction equation

HRID 274025As reactantuspto-grants-1995_02

HRID 863908 reaction equation

HRID 863908As productuspto-grants-1996_10

HRID 863909 reaction equation

HRID 863909As reactantuspto-grants-1996_10

HRID 1078783 reaction equation

HRID 1078783As reactantuspto-grants-1996_08

HRID 1684391 reaction equation

HRID 1684391As productuspto-grants-1997_06

HRID 1684392 reaction equation

HRID 1684392As reactantuspto-grants-1997_06

HRID 2319649 reaction equation

HRID 2319649As reactantTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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