2-(2,3-dihydroxypropyl)-4,5,6,7-tetrahydroisoindole-1,3-diol

C11H17NO4 — CID 54266379

IUPAC2-(2,3-dihydroxypropyl)-4,5,6,7-tetrahydroisoindole-1,3-diol
SMILESOCC(O)Cn1c(O)c2c(c1O)CCCC2
InChIInChI=1S/C11H17NO4/c13-6-7(14)5-12-10(15)8-3-1-2-4-9(8)11(12)16/h7,13-16H,1-6H2
InChIKeyRHAZVYZJUIMCLC-UHFFFAOYSA-N
MW227.26 g/mol
LogP0.13
Rot. Bonds3

About 2-(2,3-dihydroxypropyl)-4,5,6,7-tetrahydroisoindole-1,3-diol

2-(2,3-dihydroxypropyl)-4,5,6,7-tetrahydroisoindole-1,3-diol (PubChem CID 54266379) has the molecular formula C11H17NO4 and a molecular weight of 227.26 g/mol. Its IUPAC name is 2-(2,3-dihydroxypropyl)-4,5,6,7-tetrahydroisoindole-1,3-diol.

Molecular Properties

Compound Name2-(2,3-dihydroxypropyl)-4,5,6,7-tetrahydroisoindole-1,3-diol
PubChem CID54266379
Molecular FormulaC11H17NO4
Molecular Weight227.26 g/mol
Exact Mass227.12
IUPAC Name2-(2,3-dihydroxypropyl)-4,5,6,7-tetrahydroisoindole-1,3-diol
SMILESOCC(O)Cn1c(O)c2c(c1O)CCCC2
InChIInChI=1S/C11H17NO4/c13-6-7(14)5-12-10(15)8-3-1-2-4-9(8)11(12)16/h7,13-16H,1-6H2
InChIKeyRHAZVYZJUIMCLC-UHFFFAOYSA-N
XLogP0.13
TPSA85.85 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 50.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 2-(2,3-dihydroxypropyl)-4,5,6,7-tetrahydroisoindole-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

Related Compounds

2-Methyl-4,5,6,7-tetrahydroisoindole-1,3-diol
CID 12842415
2-Ethyl-4,5,6,7-tetrahydroisoindole-1,3-diol
CID 53685548
4-(1,3-Dihydroxy-4,5,6,7-tetrahydroisoindol-2-yl)butanoic acid
CID 53714698
2-[[2-(Chloromethyl)cyclopropyl]methyl]-4,5,6,7-tetrahydroisoindole-1,3-diol
CID 53720873
2-(4-Bromobutyl)-4,5,6,7-tetrahydroisoindole-1,3-diol
CID 53721158
2-(2-Hydroxyethyl)-4,5,6,7-tetrahydroisoindole-1,3-diol
CID 53743516
6-(1,3-Dihydroxy-4,5,6,7-tetrahydroisoindol-2-yl)hexanoic acid
CID 53796524
2-(2-Sulfanylethyl)-4,5,6,7-tetrahydroisoindole-1,3-diol
CID 53803150
2-Ethoxy-4,5,6,7-tetrahydroisoindole-1,3-diol
CID 53811208
2-(1-Sulfanylpropyl)-4,5,6,7-tetrahydroisoindole-1,3-diol
CID 53827900
2-[4-[4-(2-Hydroxyethyl)piperazin-1-yl]butyl]-4,5,6,7-tetrahydroisoindole-1,3-diol
CID 53832804
1,3-Dihydroxy-4,5,6,7-tetrahydroisoindole-2-carbonitrile
CID 53836461

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydroxypropyl)-4,5,6,7-tetrahydroisoindole-1,3-diol?
The IUPAC name of 2-(2,3-dihydroxypropyl)-4,5,6,7-tetrahydroisoindole-1,3-diol (CID 54266379) is 2-(2,3-dihydroxypropyl)-4,5,6,7-tetrahydroisoindole-1,3-diol.
What is the SMILES notation for 2-(2,3-dihydroxypropyl)-4,5,6,7-tetrahydroisoindole-1,3-diol?
The canonical SMILES for 2-(2,3-dihydroxypropyl)-4,5,6,7-tetrahydroisoindole-1,3-diol is OCC(O)Cn1c(O)c2c(c1O)CCCC2.
What is the InChIKey of 2-(2,3-dihydroxypropyl)-4,5,6,7-tetrahydroisoindole-1,3-diol?
The InChIKey is RHAZVYZJUIMCLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO4/c13-6-7(14)5-12-10(15)8-3-1-2-4-9(8)11(12)16/h7,13-16H,1-6H2.
What are the key properties of 2-(2,3-dihydroxypropyl)-4,5,6,7-tetrahydroisoindole-1,3-diol?
2-(2,3-dihydroxypropyl)-4,5,6,7-tetrahydroisoindole-1,3-diol has a molecular weight of 227.26 g/mol, XLogP of 0.13, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydroxypropyl)-4,5,6,7-tetrahydroisoindole-1,3-diol is sourced from PubChem (CID 54266379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).