5-(1H-indol-3-yl)-2,3-dimethoxybenzaldehyde

C17H15NO3 — CID 82039787

IUPAC5-(1H-indol-3-yl)-2,3-dimethoxybenzaldehyde
SMILESCOc1cc(-c2c[nH]c3ccccc23)cc(C=O)c1OC
InChIInChI=1S/C17H15NO3/c1-20-16-8-11(7-12(10-19)17(16)21-2)14-9-18-15-6-4-3-5-13(14)15/h3-10,18H,1-2H3
InChIKeyKGFBPMWLHFHWPB-UHFFFAOYSA-N
MW281.31 g/mol
LogP3.66
Rot. Bonds4

About 5-(1H-indol-3-yl)-2,3-dimethoxybenzaldehyde

5-(1H-indol-3-yl)-2,3-dimethoxybenzaldehyde (PubChem CID 82039787) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is 5-(1H-indol-3-yl)-2,3-dimethoxybenzaldehyde.

Molecular Properties

Compound Name5-(1H-indol-3-yl)-2,3-dimethoxybenzaldehyde
PubChem CID82039787
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Name5-(1H-indol-3-yl)-2,3-dimethoxybenzaldehyde
SMILESCOc1cc(-c2c[nH]c3ccccc23)cc(C=O)c1OC
InChIInChI=1S/C17H15NO3/c1-20-16-8-11(7-12(10-19)17(16)21-2)14-9-18-15-6-4-3-5-13(14)15/h3-10,18H,1-2H3
InChIKeyKGFBPMWLHFHWPB-UHFFFAOYSA-N
XLogP3.66
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,3-dimethoxy-5-(8-methoxyquinolin-5-yl)benzaldehyde
CID 82039986
5-(2,6-dimethylphenyl)-2,3-dimethoxybenzaldehyde
CID 82038968
3-(3,5-dimethylphenyl)-1H-indole
CID 169241956
2,3-dimethoxy-5-(4-methoxyphenyl)benzaldehyde
CID 82039032
1,4,9,10-tetramethoxyanthracene-2-carbaldehyde
CID 15089323
3-[4-(1H-indol-3-yl)phenyl]-1H-indole
CID 175007681
7-(1H-indol-3-yl)-2-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine
CID 162667633
2-methoxy-3-methyl-5-(2-methylphenyl)benzaldehyde
CID 171919508
3-(3,4,5-trimethoxyphenyl)selenonyl-1H-indole
CID 74763389
2-(5-methoxy-1H-indol-3-yl)benzaldehyde
CID 45485466
3-(1H-indol-3-yl)-4-methoxybenzoic acid
CID 82039782
2-(1H-indol-3-yl)-5,8-dimethoxynaphthalene-1,4-dione
CID 11674379

Frequently Asked Questions

What is the IUPAC name of 5-(1H-indol-3-yl)-2,3-dimethoxybenzaldehyde?
The IUPAC name of 5-(1H-indol-3-yl)-2,3-dimethoxybenzaldehyde (CID 82039787) is 5-(1H-indol-3-yl)-2,3-dimethoxybenzaldehyde.
What is the SMILES notation for 5-(1H-indol-3-yl)-2,3-dimethoxybenzaldehyde?
The canonical SMILES for 5-(1H-indol-3-yl)-2,3-dimethoxybenzaldehyde is COc1cc(-c2c[nH]c3ccccc23)cc(C=O)c1OC.
What is the InChIKey of 5-(1H-indol-3-yl)-2,3-dimethoxybenzaldehyde?
The InChIKey is KGFBPMWLHFHWPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3/c1-20-16-8-11(7-12(10-19)17(16)21-2)14-9-18-15-6-4-3-5-13(14)15/h3-10,18H,1-2H3.
What are the key properties of 5-(1H-indol-3-yl)-2,3-dimethoxybenzaldehyde?
5-(1H-indol-3-yl)-2,3-dimethoxybenzaldehyde has a molecular weight of 281.31 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-indol-3-yl)-2,3-dimethoxybenzaldehyde is sourced from PubChem (CID 82039787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).