2-(hydroxymethyl)-5-methoxy-1H-indole-3-carbaldehyde

C11H11NO3 — CID 118108331

IUPAC2-(hydroxymethyl)-5-methoxy-1H-indole-3-carbaldehyde
SMILESCOc1ccc2[nH]c(CO)c(C=O)c2c1
InChIInChI=1S/C11H11NO3/c1-15-7-2-3-10-8(4-7)9(5-13)11(6-14)12-10/h2-5,12,14H,6H2,1H3
InChIKeyXSMZJVFCZZYZJY-UHFFFAOYSA-N
MW205.21 g/mol
LogP1.48
Rot. Bonds3

About 2-(hydroxymethyl)-5-methoxy-1H-indole-3-carbaldehyde

2-(hydroxymethyl)-5-methoxy-1H-indole-3-carbaldehyde (PubChem CID 118108331) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is 2-(hydroxymethyl)-5-methoxy-1H-indole-3-carbaldehyde.

Molecular Properties

Compound Name2-(hydroxymethyl)-5-methoxy-1H-indole-3-carbaldehyde
PubChem CID118108331
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Name2-(hydroxymethyl)-5-methoxy-1H-indole-3-carbaldehyde
SMILESCOc1ccc2[nH]c(CO)c(C=O)c2c1
InChIInChI=1S/C11H11NO3/c1-15-7-2-3-10-8(4-7)9(5-13)11(6-14)12-10/h2-5,12,14H,6H2,1H3
InChIKeyXSMZJVFCZZYZJY-UHFFFAOYSA-N
XLogP1.48
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-methoxy-2-(2-methylpropyl)-1H-indole-3-carbaldehyde
CID 84694640
3-formyl-5-methoxy-1H-indole-2-carbonitrile
CID 71385404
(3-bromo-5-methoxy-1H-indol-2-yl)methanol
CID 115047680
[2-(hydroxymethyl)-5-methoxy-1H-indol-3-yl] acetate
CID 70622669
6-methoxy-1H-indole-2,3-dicarbaldehyde
CID 89262984
3-(5-methoxy-3-methyl-1H-indol-2-yl)propan-1-ol
CID 170857438
5-methoxy-2-methyl-1H-indole-3-carboxylate
CID 6919949
1-(5-methoxy-2-methyl-1H-indol-3-yl)ethanone
CID 604823
(E)-3-[2-(3-hydroxypropyl)-5-methoxy-1H-indol-3-yl]-1-pyridin-4-ylprop-2-en-1-one
CID 118735508
3-acetyl-6-methoxy-2-methyl-1H-quinolin-4-one
CID 139937848
6-methoxy-9H-carbazol-3-ol
CID 142959347
3-(5-methoxy-3-methyl-1H-indol-2-yl)-2-methylpropanoic acid
CID 84632755

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-5-methoxy-1H-indole-3-carbaldehyde?
The IUPAC name of 2-(hydroxymethyl)-5-methoxy-1H-indole-3-carbaldehyde (CID 118108331) is 2-(hydroxymethyl)-5-methoxy-1H-indole-3-carbaldehyde.
What is the SMILES notation for 2-(hydroxymethyl)-5-methoxy-1H-indole-3-carbaldehyde?
The canonical SMILES for 2-(hydroxymethyl)-5-methoxy-1H-indole-3-carbaldehyde is COc1ccc2[nH]c(CO)c(C=O)c2c1.
What is the InChIKey of 2-(hydroxymethyl)-5-methoxy-1H-indole-3-carbaldehyde?
The InChIKey is XSMZJVFCZZYZJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3/c1-15-7-2-3-10-8(4-7)9(5-13)11(6-14)12-10/h2-5,12,14H,6H2,1H3.
What are the key properties of 2-(hydroxymethyl)-5-methoxy-1H-indole-3-carbaldehyde?
2-(hydroxymethyl)-5-methoxy-1H-indole-3-carbaldehyde has a molecular weight of 205.21 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-5-methoxy-1H-indole-3-carbaldehyde is sourced from PubChem (CID 118108331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).