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

C15H15NO2 — CID 54163595

IUPAC2-benzyl-4,7-dihydroisoindole-1,3-diol
SMILESOc1c2c(c(O)n1Cc1ccccc1)CC=CC2
InChIInChI=1S/C15H15NO2/c17-14-12-8-4-5-9-13(12)15(18)16(14)10-11-6-2-1-3-7-11/h1-7,17-18H,8-10H2
InChIKeyOQCVPPDNCNFIOM-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.60
Rot. Bonds2

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

2-benzyl-4,7-dihydroisoindole-1,3-diol (PubChem CID 54163595) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-benzyl-4,7-dihydroisoindole-1,3-diol.

Molecular Properties

Compound Name2-benzyl-4,7-dihydroisoindole-1,3-diol
PubChem CID54163595
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Name2-benzyl-4,7-dihydroisoindole-1,3-diol
SMILESOc1c2c(c(O)n1Cc1ccccc1)CC=CC2
InChIInChI=1S/C15H15NO2/c17-14-12-8-4-5-9-13(12)15(18)16(14)10-11-6-2-1-3-7-11/h1-7,17-18H,8-10H2
InChIKeyOQCVPPDNCNFIOM-UHFFFAOYSA-N
XLogP2.60
TPSA45.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.60
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-Methyl-3-phenylpyrrole-2,5-diol
CID 53881854
1-(4-Methylphenyl)pyrrole-2,5-diol
CID 90898575
1-(3-Methylphenyl)pyrrole-2,5-diol
CID 91072733
3-(Fluoromethyl)-1-(4-methylphenyl)pyrrole-2,5-diol
CID 53672260
7-(4-fluorophenyl)-4,5-dihydro-2H-isoindole-1,3-diol
CID 53840913
1-[[(3R,4S)-4-(4-fluorophenyl)-1-methylpiperidin-3-yl]methyl]pyrrole-2,5-diol
CID 53966538
5,6-Dimethyl-2-[3-(trifluoromethyl)phenyl]-4,7-dihydroisoindole-1,3-diol
CID 54264176
2-[4-[4-[(4-Fluorophenyl)methyl]piperidin-1-yl]butyl]-4,5,6,7-tetrahydroisoindole-1,3-diol
CID 54291137
5-Methyl-2-[3-(trifluoromethyl)phenyl]-4,7-dihydroisoindole-1,3-diol
CID 54348974
2-[3,5-Bis(trifluoromethyl)phenyl]-4,7-dihydroisoindole-1,3-diol
CID 54495389

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-4,7-dihydroisoindole-1,3-diol?
The IUPAC name of 2-benzyl-4,7-dihydroisoindole-1,3-diol (CID 54163595) is 2-benzyl-4,7-dihydroisoindole-1,3-diol.
What is the SMILES notation for 2-benzyl-4,7-dihydroisoindole-1,3-diol?
The canonical SMILES for 2-benzyl-4,7-dihydroisoindole-1,3-diol is Oc1c2c(c(O)n1Cc1ccccc1)CC=CC2.
What is the InChIKey of 2-benzyl-4,7-dihydroisoindole-1,3-diol?
The InChIKey is OQCVPPDNCNFIOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2/c17-14-12-8-4-5-9-13(12)15(18)16(14)10-11-6-2-1-3-7-11/h1-7,17-18H,8-10H2.
What are the key properties of 2-benzyl-4,7-dihydroisoindole-1,3-diol?
2-benzyl-4,7-dihydroisoindole-1,3-diol has a molecular weight of 241.29 g/mol, XLogP of 2.60, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-4,7-dihydroisoindole-1,3-diol is sourced from PubChem (CID 54163595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).