4-(2-hydroxyphenyl)-4,5-dihydro-2H-isoindole-1,3-diol

C14H13NO3 — CID 54423769

IUPAC4-(2-hydroxyphenyl)-4,5-dihydro-2H-isoindole-1,3-diol
SMILESOc1ccccc1C1CC=Cc2c(O)[nH]c(O)c21
InChIInChI=1S/C14H13NO3/c16-11-7-2-1-4-8(11)9-5-3-6-10-12(9)14(18)15-13(10)17/h1-4,6-7,9,15-18H,5H2
InChIKeyWCPUWCKITPHGPM-UHFFFAOYSA-N
MW243.26 g/mol
LogP2.68
Rot. Bonds1

About 4-(2-hydroxyphenyl)-4,5-dihydro-2H-isoindole-1,3-diol

4-(2-hydroxyphenyl)-4,5-dihydro-2H-isoindole-1,3-diol (PubChem CID 54423769) has the molecular formula C14H13NO3 and a molecular weight of 243.26 g/mol. Its IUPAC name is 4-(2-hydroxyphenyl)-4,5-dihydro-2H-isoindole-1,3-diol.

Molecular Properties

Compound Name4-(2-hydroxyphenyl)-4,5-dihydro-2H-isoindole-1,3-diol
PubChem CID54423769
Molecular FormulaC14H13NO3
Molecular Weight243.26 g/mol
Exact Mass243.09
IUPAC Name4-(2-hydroxyphenyl)-4,5-dihydro-2H-isoindole-1,3-diol
SMILESOc1ccccc1C1CC=Cc2c(O)[nH]c(O)c21
InChIInChI=1S/C14H13NO3/c16-11-7-2-1-4-8(11)9-5-3-6-10-12(9)14(18)15-13(10)17/h1-4,6-7,9,15-18H,5H2
InChIKeyWCPUWCKITPHGPM-UHFFFAOYSA-N
XLogP2.68
TPSA76.48 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 52.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

Dihydroxyisoindole
CID 53631839
3-phenyl-1H-pyrrole-2,5-diol
CID 54197759
10-Benzhydrylidene-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol
CID 54414445
3-(4-hydroxyphenyl)-4-(2-methylprop-1-enyl)-1H-pyrrole-2,5-diol
CID 91041182
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
3-(2,3-dimethylphenyl)-1H-pyrrole-2,5-diol
CID 91268419
3-(3-methylphenyl)-1H-pyrrole-2,5-diol
CID 91548731
2-Hydroxy-4-(2-hydroxybenzylidene)-4,5,6,7-tetrahydro-1 h-indole-3-carbonitrile
CID 129876031
5a,9a-dihydro-2H-benzo[e]isoindole-1,3-diol
CID 53751099

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyphenyl)-4,5-dihydro-2H-isoindole-1,3-diol?
The IUPAC name of 4-(2-hydroxyphenyl)-4,5-dihydro-2H-isoindole-1,3-diol (CID 54423769) is 4-(2-hydroxyphenyl)-4,5-dihydro-2H-isoindole-1,3-diol.
What is the SMILES notation for 4-(2-hydroxyphenyl)-4,5-dihydro-2H-isoindole-1,3-diol?
The canonical SMILES for 4-(2-hydroxyphenyl)-4,5-dihydro-2H-isoindole-1,3-diol is Oc1ccccc1C1CC=Cc2c(O)[nH]c(O)c21.
What is the InChIKey of 4-(2-hydroxyphenyl)-4,5-dihydro-2H-isoindole-1,3-diol?
The InChIKey is WCPUWCKITPHGPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3/c16-11-7-2-1-4-8(11)9-5-3-6-10-12(9)14(18)15-13(10)17/h1-4,6-7,9,15-18H,5H2.
What are the key properties of 4-(2-hydroxyphenyl)-4,5-dihydro-2H-isoindole-1,3-diol?
4-(2-hydroxyphenyl)-4,5-dihydro-2H-isoindole-1,3-diol has a molecular weight of 243.26 g/mol, XLogP of 2.68, 1 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyphenyl)-4,5-dihydro-2H-isoindole-1,3-diol is sourced from PubChem (CID 54423769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).