2-hydroxy-1,3-dihydroisoindole

C8H9NO — CID 57063867

IUPAC2-hydroxy-1,3-dihydroisoindole
SMILESON1Cc2ccccc2C1
InChIInChI=1S/C8H9NO/c10-9-5-7-3-1-2-4-8(7)6-9/h1-4,10H,5-6H2
InChIKeyOPLCYGTZYZLOKI-UHFFFAOYSA-N
MW135.17 g/mol
LogP1.39
Rot. Bonds

About 2-hydroxy-1,3-dihydroisoindole

2-hydroxy-1,3-dihydroisoindole (PubChem CID 57063867) has the molecular formula C8H9NO and a molecular weight of 135.17 g/mol. Its IUPAC name is 2-hydroxy-1,3-dihydroisoindole.

Molecular Properties

Compound Name2-hydroxy-1,3-dihydroisoindole
PubChem CID57063867
Molecular FormulaC8H9NO
Molecular Weight135.17 g/mol
Exact Mass135.07
IUPAC Name2-hydroxy-1,3-dihydroisoindole
SMILESON1Cc2ccccc2C1
InChIInChI=1S/C8H9NO/c10-9-5-7-3-1-2-4-8(7)6-9/h1-4,10H,5-6H2
InChIKeyOPLCYGTZYZLOKI-UHFFFAOYSA-N
XLogP1.39
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.17
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1,3-dihydroisoindole?
The IUPAC name of 2-hydroxy-1,3-dihydroisoindole (CID 57063867) is 2-hydroxy-1,3-dihydroisoindole.
What is the SMILES notation for 2-hydroxy-1,3-dihydroisoindole?
The canonical SMILES for 2-hydroxy-1,3-dihydroisoindole is ON1Cc2ccccc2C1.
What is the InChIKey of 2-hydroxy-1,3-dihydroisoindole?
The InChIKey is OPLCYGTZYZLOKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO/c10-9-5-7-3-1-2-4-8(7)6-9/h1-4,10H,5-6H2.
What are the key properties of 2-hydroxy-1,3-dihydroisoindole?
2-hydroxy-1,3-dihydroisoindole has a molecular weight of 135.17 g/mol, XLogP of 1.39, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1,3-dihydroisoindole is sourced from PubChem (CID 57063867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).