2-hydroxy-5-methoxy-6-methyl-2,3-dihydroindole-1-carbaldehyde

C11H13NO3 — CID 91344806

IUPAC2-hydroxy-5-methoxy-6-methyl-2,3-dihydroindole-1-carbaldehyde
SMILESCOc1cc2c(cc1C)N(C=O)C(O)C2
InChIInChI=1S/C11H13NO3/c1-7-3-9-8(4-10(7)15-2)5-11(14)12(9)6-13/h3-4,6,11,14H,5H2,1-2H3
InChIKeyPAQIUTWVJSFKLO-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.84
Rot. Bonds2

About 2-hydroxy-5-methoxy-6-methyl-2,3-dihydroindole-1-carbaldehyde

2-hydroxy-5-methoxy-6-methyl-2,3-dihydroindole-1-carbaldehyde (PubChem CID 91344806) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is 2-hydroxy-5-methoxy-6-methyl-2,3-dihydroindole-1-carbaldehyde.

Molecular Properties

Compound Name2-hydroxy-5-methoxy-6-methyl-2,3-dihydroindole-1-carbaldehyde
PubChem CID91344806
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name2-hydroxy-5-methoxy-6-methyl-2,3-dihydroindole-1-carbaldehyde
SMILESCOc1cc2c(cc1C)N(C=O)C(O)C2
InChIInChI=1S/C11H13NO3/c1-7-3-9-8(4-10(7)15-2)5-11(14)12(9)6-13/h3-4,6,11,14H,5H2,1-2H3
InChIKeyPAQIUTWVJSFKLO-UHFFFAOYSA-N
XLogP0.84
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 2-hydroxy-5-methoxy-6-methyl-2,3-dihydroindole-1-carbaldehyde 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-hydroxy-5-methoxy-6-methyl-2,3-dihydroindole-1-carbaldehyde?
The IUPAC name of 2-hydroxy-5-methoxy-6-methyl-2,3-dihydroindole-1-carbaldehyde (CID 91344806) is 2-hydroxy-5-methoxy-6-methyl-2,3-dihydroindole-1-carbaldehyde.
What is the SMILES notation for 2-hydroxy-5-methoxy-6-methyl-2,3-dihydroindole-1-carbaldehyde?
The canonical SMILES for 2-hydroxy-5-methoxy-6-methyl-2,3-dihydroindole-1-carbaldehyde is COc1cc2c(cc1C)N(C=O)C(O)C2.
What is the InChIKey of 2-hydroxy-5-methoxy-6-methyl-2,3-dihydroindole-1-carbaldehyde?
The InChIKey is PAQIUTWVJSFKLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c1-7-3-9-8(4-10(7)15-2)5-11(14)12(9)6-13/h3-4,6,11,14H,5H2,1-2H3.
What are the key properties of 2-hydroxy-5-methoxy-6-methyl-2,3-dihydroindole-1-carbaldehyde?
2-hydroxy-5-methoxy-6-methyl-2,3-dihydroindole-1-carbaldehyde has a molecular weight of 207.23 g/mol, XLogP of 0.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-methoxy-6-methyl-2,3-dihydroindole-1-carbaldehyde is sourced from PubChem (CID 91344806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).