2-(2-hydroxyethyl)-4,5-dihydrobenzo[e]isoindole-1,3-diol

C14H15NO3 — CID 54199171

IUPAC2-(2-hydroxyethyl)-4,5-dihydrobenzo[e]isoindole-1,3-diol
SMILESOCCn1c(O)c2c(c1O)-c1ccccc1CC2
InChIInChI=1S/C14H15NO3/c16-8-7-15-13(17)11-6-5-9-3-1-2-4-10(9)12(11)14(15)18/h1-4,16-18H,5-8H2
InChIKeyPNZQGQBVOHBMLS-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.66
Rot. Bonds2

About 2-(2-hydroxyethyl)-4,5-dihydrobenzo[e]isoindole-1,3-diol

2-(2-hydroxyethyl)-4,5-dihydrobenzo[e]isoindole-1,3-diol (PubChem CID 54199171) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-(2-hydroxyethyl)-4,5-dihydrobenzo[e]isoindole-1,3-diol.

Molecular Properties

Compound Name2-(2-hydroxyethyl)-4,5-dihydrobenzo[e]isoindole-1,3-diol
PubChem CID54199171
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name2-(2-hydroxyethyl)-4,5-dihydrobenzo[e]isoindole-1,3-diol
SMILESOCCn1c(O)c2c(c1O)-c1ccccc1CC2
InChIInChI=1S/C14H15NO3/c16-8-7-15-13(17)11-6-5-9-3-1-2-4-10(9)12(11)14(15)18/h1-4,16-18H,5-8H2
InChIKeyPNZQGQBVOHBMLS-UHFFFAOYSA-N
XLogP1.66
TPSA65.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-(2-hydroxyethyl)-4,5-dihydrobenzo[e]isoindole-1,3-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethyl)-4,5-dihydrobenzo[e]isoindole-1,3-diol?
The IUPAC name of 2-(2-hydroxyethyl)-4,5-dihydrobenzo[e]isoindole-1,3-diol (CID 54199171) is 2-(2-hydroxyethyl)-4,5-dihydrobenzo[e]isoindole-1,3-diol.
What is the SMILES notation for 2-(2-hydroxyethyl)-4,5-dihydrobenzo[e]isoindole-1,3-diol?
The canonical SMILES for 2-(2-hydroxyethyl)-4,5-dihydrobenzo[e]isoindole-1,3-diol is OCCn1c(O)c2c(c1O)-c1ccccc1CC2.
What is the InChIKey of 2-(2-hydroxyethyl)-4,5-dihydrobenzo[e]isoindole-1,3-diol?
The InChIKey is PNZQGQBVOHBMLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c16-8-7-15-13(17)11-6-5-9-3-1-2-4-10(9)12(11)14(15)18/h1-4,16-18H,5-8H2.
What are the key properties of 2-(2-hydroxyethyl)-4,5-dihydrobenzo[e]isoindole-1,3-diol?
2-(2-hydroxyethyl)-4,5-dihydrobenzo[e]isoindole-1,3-diol has a molecular weight of 245.28 g/mol, XLogP of 1.66, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethyl)-4,5-dihydrobenzo[e]isoindole-1,3-diol is sourced from PubChem (CID 54199171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).