1-hydroxy-5-methoxyindole-3-carbaldehyde

C10H9NO3 — CID 11206300

IUPAC1-hydroxy-5-methoxyindole-3-carbaldehyde
SMILESCOc1ccc2c(c1)c(C=O)cn2O
InChIInChI=1S/C10H9NO3/c1-14-8-2-3-10-9(4-8)7(6-12)5-11(10)13/h2-6,13H,1H3
InChIKeyFDDJHNOXPYIBIK-UHFFFAOYSA-N
MW191.19 g/mol
LogP1.70
Rot. Bonds2

About 1-hydroxy-5-methoxyindole-3-carbaldehyde

1-hydroxy-5-methoxyindole-3-carbaldehyde (PubChem CID 11206300) has the molecular formula C10H9NO3 and a molecular weight of 191.19 g/mol. Its IUPAC name is 1-hydroxy-5-methoxyindole-3-carbaldehyde.

Molecular Properties

Compound Name1-hydroxy-5-methoxyindole-3-carbaldehyde
PubChem CID11206300
Molecular FormulaC10H9NO3
Molecular Weight191.19 g/mol
Exact Mass191.06
IUPAC Name1-hydroxy-5-methoxyindole-3-carbaldehyde
SMILESCOc1ccc2c(c1)c(C=O)cn2O
InChIInChI=1S/C10H9NO3/c1-14-8-2-3-10-9(4-8)7(6-12)5-11(10)13/h2-6,13H,1H3
InChIKeyFDDJHNOXPYIBIK-UHFFFAOYSA-N
XLogP1.70
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 ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-hydroxy-5-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-fluoro-5-methoxyindole-3-carbaldehyde
CID 54415390
1-ethyl-5-methoxyindole-3-carbaldehyde
CID 3162229
5-chloro-1-hydroxyindole-3-carbaldehyde
CID 130026218
5-methoxy-1-(4-methylphenyl)sulfonylindole-3-carbaldehyde
CID 14403889
5-methoxy-1-(3-methylbenzoyl)indole-3-carbaldehyde
CID 71670304
6-methoxy-1-[(4-methoxyphenyl)methyl]indole-3-carbaldehyde
CID 141464853
ethyl 2-(5-ethoxy-3-formylindol-1-yl)-2-methylpropanoate
CID 110832186
2,2,2-trifluoro-N-[2-(1-hydroxy-5-methoxyindol-3-yl)ethyl]acetamide
CID 101098567
(2-formyl-5-methoxyphenyl)-methylborinic acid
CID 58916121
(5-methoxy-1-methylindol-3-yl)boronic acid
CID 58933386
5-methoxy-1-benzofuran-3-carbaldehyde
CID 25131833
2-(2,2-dimethylpropanoyl)-4-methoxybenzaldehyde
CID 173118592

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-5-methoxyindole-3-carbaldehyde?
The IUPAC name of 1-hydroxy-5-methoxyindole-3-carbaldehyde (CID 11206300) is 1-hydroxy-5-methoxyindole-3-carbaldehyde.
What is the SMILES notation for 1-hydroxy-5-methoxyindole-3-carbaldehyde?
The canonical SMILES for 1-hydroxy-5-methoxyindole-3-carbaldehyde is COc1ccc2c(c1)c(C=O)cn2O.
What is the InChIKey of 1-hydroxy-5-methoxyindole-3-carbaldehyde?
The InChIKey is FDDJHNOXPYIBIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO3/c1-14-8-2-3-10-9(4-8)7(6-12)5-11(10)13/h2-6,13H,1H3.
What are the key properties of 1-hydroxy-5-methoxyindole-3-carbaldehyde?
1-hydroxy-5-methoxyindole-3-carbaldehyde has a molecular weight of 191.19 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-5-methoxyindole-3-carbaldehyde is sourced from PubChem (CID 11206300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).