2-phenyl-4,7-dihydroisoindole-1,3-diol

C14H13NO2 — CID 12842419

IUPAC2-phenyl-4,7-dihydroisoindole-1,3-diol
SMILESOc1c2c(c(O)n1-c1ccccc1)CC=CC2
InChIInChI=1S/C14H13NO2/c16-13-11-8-4-5-9-12(11)14(17)15(13)10-6-2-1-3-7-10/h1-7,16-17H,8-9H2
InChIKeyHQVQUYNYIRPDOQ-UHFFFAOYSA-N
MW227.26 g/mol
LogP2.54
Rot. Bonds1

About 2-phenyl-4,7-dihydroisoindole-1,3-diol

2-phenyl-4,7-dihydroisoindole-1,3-diol (PubChem CID 12842419) has the molecular formula C14H13NO2 and a molecular weight of 227.26 g/mol. Its IUPAC name is 2-phenyl-4,7-dihydroisoindole-1,3-diol.

Molecular Properties

Compound Name2-phenyl-4,7-dihydroisoindole-1,3-diol
PubChem CID12842419
Molecular FormulaC14H13NO2
Molecular Weight227.26 g/mol
Exact Mass227.09
IUPAC Name2-phenyl-4,7-dihydroisoindole-1,3-diol
SMILESOc1c2c(c(O)n1-c1ccccc1)CC=CC2
InChIInChI=1S/C14H13NO2/c16-13-11-8-4-5-9-12(11)14(17)15(13)10-6-2-1-3-7-10/h1-7,16-17H,8-9H2
InChIKeyHQVQUYNYIRPDOQ-UHFFFAOYSA-N
XLogP2.54
TPSA45.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(2-Fluorophenyl)-4,5,6,7-tetrahydroisoindole-1,3-diol
CID 123175013
2-(4-Fluorophenyl)-4,5,6,7-tetrahydroisoindole-1,3-diol
CID 123536853
1-Naphthalen-1-ylpyrrole-2,5-diol
CID 53867746
1-Methyl-3-phenylpyrrole-2,5-diol
CID 53881854
1-(4-Methylphenyl)pyrrole-2,5-diol
CID 90898575
1-(2-Tert-butylphenyl)pyrrole-2,5-diol
CID 90922955
1-(3-Methylphenyl)pyrrole-2,5-diol
CID 91072733
3-(Bromomethyl)-1-(2-fluorophenyl)pyrrole-2,5-diol
CID 53639945
3-(Fluoromethyl)-1-(4-methylphenyl)pyrrole-2,5-diol
CID 53672260
1-(4-Fluoro-2-methylphenyl)-3-(iodomethyl)pyrrole-2,5-diol
CID 53678754
3-(Chloromethyl)-1-(5-fluoro-2-methylphenyl)pyrrole-2,5-diol
CID 53686893
3-(Bromomethyl)-1-(2,5-difluorophenyl)pyrrole-2,5-diol
CID 53714754

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4,7-dihydroisoindole-1,3-diol?
The IUPAC name of 2-phenyl-4,7-dihydroisoindole-1,3-diol (CID 12842419) is 2-phenyl-4,7-dihydroisoindole-1,3-diol.
What is the SMILES notation for 2-phenyl-4,7-dihydroisoindole-1,3-diol?
The canonical SMILES for 2-phenyl-4,7-dihydroisoindole-1,3-diol is Oc1c2c(c(O)n1-c1ccccc1)CC=CC2.
What is the InChIKey of 2-phenyl-4,7-dihydroisoindole-1,3-diol?
The InChIKey is HQVQUYNYIRPDOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2/c16-13-11-8-4-5-9-12(11)14(17)15(13)10-6-2-1-3-7-10/h1-7,16-17H,8-9H2.
What are the key properties of 2-phenyl-4,7-dihydroisoindole-1,3-diol?
2-phenyl-4,7-dihydroisoindole-1,3-diol has a molecular weight of 227.26 g/mol, XLogP of 2.54, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4,7-dihydroisoindole-1,3-diol is sourced from PubChem (CID 12842419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).