2H-isoindol-1-ol

C8H7NO — CID 21225249

IUPAC2H-isoindol-1-ol
SMILESOc1[nH]cc2ccccc12
InChIInChI=1S/C8H7NO/c10-8-7-4-2-1-3-6(7)5-9-8/h1-5,9-10H
InChIKeyCSYLQCSOMYVTHB-UHFFFAOYSA-N
MW133.15 g/mol
LogP1.87
Rot. Bonds

About 2H-isoindol-1-ol

2H-isoindol-1-ol (PubChem CID 21225249) has the molecular formula C8H7NO and a molecular weight of 133.15 g/mol. Its IUPAC name is 2H-isoindol-1-ol.

Molecular Properties

Compound Name2H-isoindol-1-ol
PubChem CID21225249
Molecular FormulaC8H7NO
Molecular Weight133.15 g/mol
Exact Mass133.05
IUPAC Name2H-isoindol-1-ol
SMILESOc1[nH]cc2ccccc12
InChIInChI=1S/C8H7NO/c10-8-7-4-2-1-3-6(7)5-9-8/h1-5,9-10H
InChIKeyCSYLQCSOMYVTHB-UHFFFAOYSA-N
XLogP1.87
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.15
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

3-[(allylamino)methylene]-1,3-dihydro-2H-indol-2-one
CID 2859790
Isoindol-5-ol
CID 21560857
Dihydroxyisoindole
CID 53631839
Hydroxypyrrolo[3,4-c]pyridine
CID 53910923
1-methoxy-2H-isoindole
CID 91389894
3-Aminomethyleneindolinone
CID 136180636
2H-isoindol-1-yl bis(2,3,4,5,6-pentafluorophenyl) borate
CID 18400450
6-fluoro-2H-isoindol-1-ol
CID 54270389
4-fluoro-2H-isoindol-1-ol
CID 54413322
2H-isoindol-1-yloxy-(2,3,4,5,6-pentafluorophenoxy)borinic acid
CID 88257609
6-Fluoro-2-[(4-fluorophenyl)methyl]-7-methylisoindol-1-ol
CID 90705871
5-[2-(3,4-difluorophenyl)ethynyl]-2H-isoindol-1-ol
CID 90731778

Frequently Asked Questions

What is the IUPAC name of 2H-isoindol-1-ol?
The IUPAC name of 2H-isoindol-1-ol (CID 21225249) is 2H-isoindol-1-ol.
What is the SMILES notation for 2H-isoindol-1-ol?
The canonical SMILES for 2H-isoindol-1-ol is Oc1[nH]cc2ccccc12.
What is the InChIKey of 2H-isoindol-1-ol?
The InChIKey is CSYLQCSOMYVTHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO/c10-8-7-4-2-1-3-6(7)5-9-8/h1-5,9-10H.
What are the key properties of 2H-isoindol-1-ol?
2H-isoindol-1-ol has a molecular weight of 133.15 g/mol, XLogP of 1.87, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-isoindol-1-ol is sourced from PubChem (CID 21225249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).