2-hydroxy-1-methoxyindole-3-carbaldehyde

C10H9NO3 — CID 137263288

IUPAC2-hydroxy-1-methoxyindole-3-carbaldehyde
SMILESCOn1c(O)c(C=O)c2ccccc21
InChIInChI=1S/C10H9NO3/c1-14-11-9-5-3-2-4-7(9)8(6-12)10(11)13/h2-6,13H,1H3
InChIKeyNPVMMRASNQSWMC-UHFFFAOYSA-N
MW191.19 g/mol
LogP1.22
Rot. Bonds2

About 2-hydroxy-1-methoxyindole-3-carbaldehyde

2-hydroxy-1-methoxyindole-3-carbaldehyde (PubChem CID 137263288) has the molecular formula C10H9NO3 and a molecular weight of 191.19 g/mol. Its IUPAC name is 2-hydroxy-1-methoxyindole-3-carbaldehyde.

Molecular Properties

Compound Name2-hydroxy-1-methoxyindole-3-carbaldehyde
PubChem CID137263288
Molecular FormulaC10H9NO3
Molecular Weight191.19 g/mol
Exact Mass191.06
IUPAC Name2-hydroxy-1-methoxyindole-3-carbaldehyde
SMILESCOn1c(O)c(C=O)c2ccccc21
InChIInChI=1S/C10H9NO3/c1-14-11-9-5-3-2-4-7(9)8(6-12)10(11)13/h2-6,13H,1H3
InChIKeyNPVMMRASNQSWMC-UHFFFAOYSA-N
XLogP1.22
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-hydroxy-1-methoxyindole-3-carbaldehyde 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

1-(4-hydroxyphenyl)-2-methylindole-3-carbaldehyde
CID 87772568
3-methanimidoyl-1-methoxyindole-2-thiol
CID 136763080
2-fluoro-1-methylindole-3-carbaldehyde
CID 141053587
1,2,3-trimethoxyquinolin-4-one
CID 174279293
1-methoxy-3,1-benzoxazine-2,4-dione
CID 140665650
2-(4-methoxybenzoyl)-1-methylsulfonylindole-3-carbaldehyde
CID 10689676
methyl 1-methoxy-2-[(E)-prop-1-enyl]indole-3-carboxylate
CID 101259134
3-hydroxy-9-methylcarbazole-4-carbaldehyde
CID 155346845
2-deuteriocarbonyl-1-methylindole-3-carbaldehyde
CID 12584870
1-(3-methoxypropyl)-2-methylindole-3-carbaldehyde
CID 59177546
2-[(E)-2-(dimethylamino)ethenyl]-1-methylindole-3-carbaldehyde;ethane
CID 91058510
methyl (E)-3-(2-formyl-1-methylindol-3-yl)prop-2-enoate
CID 14642760

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-methoxyindole-3-carbaldehyde?
The IUPAC name of 2-hydroxy-1-methoxyindole-3-carbaldehyde (CID 137263288) is 2-hydroxy-1-methoxyindole-3-carbaldehyde.
What is the SMILES notation for 2-hydroxy-1-methoxyindole-3-carbaldehyde?
The canonical SMILES for 2-hydroxy-1-methoxyindole-3-carbaldehyde is COn1c(O)c(C=O)c2ccccc21.
What is the InChIKey of 2-hydroxy-1-methoxyindole-3-carbaldehyde?
The InChIKey is NPVMMRASNQSWMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO3/c1-14-11-9-5-3-2-4-7(9)8(6-12)10(11)13/h2-6,13H,1H3.
What are the key properties of 2-hydroxy-1-methoxyindole-3-carbaldehyde?
2-hydroxy-1-methoxyindole-3-carbaldehyde has a molecular weight of 191.19 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-methoxyindole-3-carbaldehyde is sourced from PubChem (CID 137263288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).