2H-benzo[f]isoindole-1,3-diol

C12H9NO2 — CID 90733360

IUPAC2H-benzo[f]isoindole-1,3-diol
SMILESOc1[nH]c(O)c2cc3ccccc3cc12
InChIInChI=1S/C12H9NO2/c14-11-9-5-7-3-1-2-4-8(7)6-10(9)12(15)13-11/h1-6,13-15H
InChIKeyIYBAEOBYFUBOGP-UHFFFAOYSA-N
MW199.21 g/mol
LogP2.73
Rot. Bonds

About 2H-benzo[f]isoindole-1,3-diol

2H-benzo[f]isoindole-1,3-diol (PubChem CID 90733360) has the molecular formula C12H9NO2 and a molecular weight of 199.21 g/mol. Its IUPAC name is 2H-benzo[f]isoindole-1,3-diol.

Molecular Properties

Compound Name2H-benzo[f]isoindole-1,3-diol
PubChem CID90733360
Molecular FormulaC12H9NO2
Molecular Weight199.21 g/mol
Exact Mass199.06
IUPAC Name2H-benzo[f]isoindole-1,3-diol
SMILESOc1[nH]c(O)c2cc3ccccc3cc12
InChIInChI=1S/C12H9NO2/c14-11-9-5-7-3-1-2-4-8(7)6-10(9)12(15)13-11/h1-6,13-15H
InChIKeyIYBAEOBYFUBOGP-UHFFFAOYSA-N
XLogP2.73
TPSA56.25 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-Phenylhydroxy-indole
CID 2785659
1H-Benz(g)indol-2-ol
CID 24101299
Dihydroxyisoindole
CID 53631839
3-phenyl-1H-pyrrole-2,5-diol
CID 54197759
3-(benzenecarboximidoyl)-1H-indol-2-ol
CID 136332322
7-(4-fluorophenyl)-4,5-dihydro-2H-isoindole-1,3-diol
CID 53840913
4-(4-fluorophenyl)-4,7-dihydro-2H-isoindole-1,3-diol
CID 53972612
5-(4-fluorophenyl)-4,5-dihydro-2H-isoindole-1,3-diol
CID 53990470
5-(4-fluorophenyl)-4,5,6,7-tetrahydro-2H-isoindole-1,3-diol
CID 54287249
5-[2-(3,4-difluorophenyl)ethynyl]-2H-isoindol-1-ol
CID 90731778
2-(2,2,2-Trifluoroethyl)-5-(trifluoromethyl)isoindole-1,3-diol
CID 90867000
5-[2-(3-fluorophenyl)ethynyl]-2H-isoindol-1-ol
CID 91555623

Frequently Asked Questions

What is the IUPAC name of 2H-benzo[f]isoindole-1,3-diol?
The IUPAC name of 2H-benzo[f]isoindole-1,3-diol (CID 90733360) is 2H-benzo[f]isoindole-1,3-diol.
What is the SMILES notation for 2H-benzo[f]isoindole-1,3-diol?
The canonical SMILES for 2H-benzo[f]isoindole-1,3-diol is Oc1[nH]c(O)c2cc3ccccc3cc12.
What is the InChIKey of 2H-benzo[f]isoindole-1,3-diol?
The InChIKey is IYBAEOBYFUBOGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO2/c14-11-9-5-7-3-1-2-4-8(7)6-10(9)12(15)13-11/h1-6,13-15H.
What are the key properties of 2H-benzo[f]isoindole-1,3-diol?
2H-benzo[f]isoindole-1,3-diol has a molecular weight of 199.21 g/mol, XLogP of 2.73, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-benzo[f]isoindole-1,3-diol is sourced from PubChem (CID 90733360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).