2-benzyl-4,9-dihydrobenzo[f]isoindole-1,3-diol

C19H17NO2 — CID 91241008

IUPAC2-benzyl-4,9-dihydrobenzo[f]isoindole-1,3-diol
SMILESOc1c2c(c(O)n1Cc1ccccc1)Cc1ccccc1C2
InChIInChI=1S/C19H17NO2/c21-18-16-10-14-8-4-5-9-15(14)11-17(16)19(22)20(18)12-13-6-2-1-3-7-13/h1-9,21-22H,10-12H2
InChIKeyBDOZCIVVYNMIQS-UHFFFAOYSA-N
MW291.35 g/mol
LogP3.44
Rot. Bonds2

About 2-benzyl-4,9-dihydrobenzo[f]isoindole-1,3-diol

2-benzyl-4,9-dihydrobenzo[f]isoindole-1,3-diol (PubChem CID 91241008) has the molecular formula C19H17NO2 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-benzyl-4,9-dihydrobenzo[f]isoindole-1,3-diol.

Molecular Properties

Compound Name2-benzyl-4,9-dihydrobenzo[f]isoindole-1,3-diol
PubChem CID91241008
Molecular FormulaC19H17NO2
Molecular Weight291.35 g/mol
Exact Mass291.13
IUPAC Name2-benzyl-4,9-dihydrobenzo[f]isoindole-1,3-diol
SMILESOc1c2c(c(O)n1Cc1ccccc1)Cc1ccccc1C2
InChIInChI=1S/C19H17NO2/c21-18-16-10-14-8-4-5-9-15(14)11-17(16)19(22)20(18)12-13-6-2-1-3-7-13/h1-9,21-22H,10-12H2
InChIKeyBDOZCIVVYNMIQS-UHFFFAOYSA-N
XLogP3.44
TPSA45.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-benzyl-1,3-dioxoisoindolin-5-yl)-N-hydroxyacrylamide
CID 135424818
(E)-3-[1,3-dihydroxy-2-(2-phenylethyl)isoindol-5-yl]-N-oxoprop-2-enamide
CID 135906531
(E)-3-[1,3-dihydroxy-2-[(4-methylphenyl)methyl]isoindol-5-yl]-N-oxoprop-2-enamide
CID 135906532
(E)-3-(2-benzhydryl-1,3-dihydroxyisoindol-5-yl)-N-oxoprop-2-enamide
CID 135906525
(E)-3-[2-(2,2-diphenylethyl)-1,3-dihydroxyisoindol-5-yl]-N-oxoprop-2-enamide
CID 135906526
17-(2,3,4,5,6-Pentafluorophenyl)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13,15,18-octaene-16,18-diol
CID 123242163
17-(3,5-Difluorophenyl)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13,15,18-octaene-16,18-diol
CID 123298077
17-(2,4,6-Trifluorophenyl)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13,15,18-octaene-16,18-diol
CID 123627757
2-[4-[4-[(4-Fluorophenyl)methyl]piperidin-1-yl]butyl]-4,5,6,7-tetrahydroisoindole-1,3-diol
CID 54291137
(1R,7S,8R)-8-methyl-4-[3-(trifluoromethyl)phenyl]-4-azatricyclo[5.2.2.02,6]undeca-2,5-diene-3,5-diol
CID 90694266
2-[3-[3-(Trifluoromethyl)phenyl]propyl]isoindol-1-ol
CID 90805338
2-(2,2,2-Trifluoroethyl)-5-(trifluoromethyl)isoindole-1,3-diol
CID 90867000

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-4,9-dihydrobenzo[f]isoindole-1,3-diol?
The IUPAC name of 2-benzyl-4,9-dihydrobenzo[f]isoindole-1,3-diol (CID 91241008) is 2-benzyl-4,9-dihydrobenzo[f]isoindole-1,3-diol.
What is the SMILES notation for 2-benzyl-4,9-dihydrobenzo[f]isoindole-1,3-diol?
The canonical SMILES for 2-benzyl-4,9-dihydrobenzo[f]isoindole-1,3-diol is Oc1c2c(c(O)n1Cc1ccccc1)Cc1ccccc1C2.
What is the InChIKey of 2-benzyl-4,9-dihydrobenzo[f]isoindole-1,3-diol?
The InChIKey is BDOZCIVVYNMIQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO2/c21-18-16-10-14-8-4-5-9-15(14)11-17(16)19(22)20(18)12-13-6-2-1-3-7-13/h1-9,21-22H,10-12H2.
What are the key properties of 2-benzyl-4,9-dihydrobenzo[f]isoindole-1,3-diol?
2-benzyl-4,9-dihydrobenzo[f]isoindole-1,3-diol has a molecular weight of 291.35 g/mol, XLogP of 3.44, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-4,9-dihydrobenzo[f]isoindole-1,3-diol is sourced from PubChem (CID 91241008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).