2-methylisoindole-1,3-diol

C9H9NO2 — CID 11480341

IUPAC2-methylisoindole-1,3-diol
SMILESCn1c(O)c2ccccc2c1O
InChIInChI=1S/C9H9NO2/c1-10-8(11)6-4-2-3-5-7(6)9(10)12/h2-5,11-12H,1H3
InChIKeyCNZGPENMTHOTAA-UHFFFAOYSA-N
MW163.18 g/mol
LogP1.59
Rot. Bonds

About 2-methylisoindole-1,3-diol

2-methylisoindole-1,3-diol (PubChem CID 11480341) has the molecular formula C9H9NO2 and a molecular weight of 163.18 g/mol. Its IUPAC name is 2-methylisoindole-1,3-diol.

Molecular Properties

Compound Name2-methylisoindole-1,3-diol
PubChem CID11480341
Molecular FormulaC9H9NO2
Molecular Weight163.18 g/mol
Exact Mass163.06
IUPAC Name2-methylisoindole-1,3-diol
SMILESCn1c(O)c2ccccc2c1O
InChIInChI=1S/C9H9NO2/c1-10-8(11)6-4-2-3-5-7(6)9(10)12/h2-5,11-12H,1H3
InChIKeyCNZGPENMTHOTAA-UHFFFAOYSA-N
XLogP1.59
TPSA45.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methylisoindole-1,3-diol?
The IUPAC name of 2-methylisoindole-1,3-diol (CID 11480341) is 2-methylisoindole-1,3-diol.
What is the SMILES notation for 2-methylisoindole-1,3-diol?
The canonical SMILES for 2-methylisoindole-1,3-diol is Cn1c(O)c2ccccc2c1O.
What is the InChIKey of 2-methylisoindole-1,3-diol?
The InChIKey is CNZGPENMTHOTAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO2/c1-10-8(11)6-4-2-3-5-7(6)9(10)12/h2-5,11-12H,1H3.
What are the key properties of 2-methylisoindole-1,3-diol?
2-methylisoindole-1,3-diol has a molecular weight of 163.18 g/mol, XLogP of 1.59, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylisoindole-1,3-diol is sourced from PubChem (CID 11480341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).