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

C12H19NO2 — CID 54081356

IUPAC2-(2-methylpropyl)-4,5,6,7-tetrahydroisoindole-1,3-diol
SMILESCC(C)Cn1c(O)c2c(c1O)CCCC2
InChIInChI=1S/C12H19NO2/c1-8(2)7-13-11(14)9-5-3-4-6-10(9)12(13)15/h8,14-15H,3-7H2,1-2H3
InChIKeyVNBWEMNATJUGMM-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.43
Rot. Bonds2

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

2-(2-methylpropyl)-4,5,6,7-tetrahydroisoindole-1,3-diol (PubChem CID 54081356) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-(2-methylpropyl)-4,5,6,7-tetrahydroisoindole-1,3-diol.

Molecular Properties

Compound Name2-(2-methylpropyl)-4,5,6,7-tetrahydroisoindole-1,3-diol
PubChem CID54081356
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name2-(2-methylpropyl)-4,5,6,7-tetrahydroisoindole-1,3-diol
SMILESCC(C)Cn1c(O)c2c(c1O)CCCC2
InChIInChI=1S/C12H19NO2/c1-8(2)7-13-11(14)9-5-3-4-6-10(9)12(13)15/h8,14-15H,3-7H2,1-2H3
InChIKeyVNBWEMNATJUGMM-UHFFFAOYSA-N
XLogP2.43
TPSA45.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4,5,6,7-tetrahydro-2H-isoindole-1,3-diol
CID 53631539
2-(7-Fluoro-2,3-dihydroquinoxalin-6-yl)-4,5,6,7-tetrahydroisoindole-1,3-diol
CID 135626213
2-Methyl-2H-isoindole-1,3-diol
CID 11480341
2-Methyl-4,5,6,7-tetrahydroisoindole-1,3-diol
CID 12842415
2-[6-[6-(1,3-Dihydroxy-4,5,6,7-tetrahydroisoindol-2-yl)hexylamino]hexyl]-4,5,6,7-tetrahydroisoindole-1,3-diol
CID 53634025
2-Octadecyl-4,7-dihydroisoindole-1,3-diol
CID 53636654
4-(2-Ethylheptyl)-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol
CID 53684006
2-Ethyl-4,5,6,7-tetrahydroisoindole-1,3-diol
CID 53685548
8-(1,3-Dihydroxy-5-methyl-4,5,6,7-tetrahydroisoindol-2-yl)-2-methylideneoctanoic acid
CID 53699760
4-(1,3-Dihydroxy-4,5,6,7-tetrahydroisoindol-2-yl)butanoic acid
CID 53714698
4-(2-Ethylhexyl)-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol
CID 53715431
2-[[2-(Chloromethyl)cyclopropyl]methyl]-4,5,6,7-tetrahydroisoindole-1,3-diol
CID 53720873

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)-4,5,6,7-tetrahydroisoindole-1,3-diol?
The IUPAC name of 2-(2-methylpropyl)-4,5,6,7-tetrahydroisoindole-1,3-diol (CID 54081356) is 2-(2-methylpropyl)-4,5,6,7-tetrahydroisoindole-1,3-diol.
What is the SMILES notation for 2-(2-methylpropyl)-4,5,6,7-tetrahydroisoindole-1,3-diol?
The canonical SMILES for 2-(2-methylpropyl)-4,5,6,7-tetrahydroisoindole-1,3-diol is CC(C)Cn1c(O)c2c(c1O)CCCC2.
What is the InChIKey of 2-(2-methylpropyl)-4,5,6,7-tetrahydroisoindole-1,3-diol?
The InChIKey is VNBWEMNATJUGMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-8(2)7-13-11(14)9-5-3-4-6-10(9)12(13)15/h8,14-15H,3-7H2,1-2H3.
What are the key properties of 2-(2-methylpropyl)-4,5,6,7-tetrahydroisoindole-1,3-diol?
2-(2-methylpropyl)-4,5,6,7-tetrahydroisoindole-1,3-diol has a molecular weight of 209.29 g/mol, XLogP of 2.43, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-4,5,6,7-tetrahydroisoindole-1,3-diol is sourced from PubChem (CID 54081356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).