2-(2-ethoxyphenyl)-5-ethyl-1H-indole-3-carbaldehyde

C19H19NO2 — CID 3834482

IUPAC2-(2-ethoxyphenyl)-5-ethyl-1H-indole-3-carbaldehyde
SMILESCCOc1ccccc1-c1[nH]c2ccc(CC)cc2c1C=O
InChIInChI=1S/C19H19NO2/c1-3-13-9-10-17-15(11-13)16(12-21)19(20-17)14-7-5-6-8-18(14)22-4-2/h5-12,20H,3-4H2,1-2H3
InChIKeyLOODZBVMXGVBQA-UHFFFAOYSA-N
MW293.37 g/mol
LogP4.61
Rot. Bonds5

About 2-(2-ethoxyphenyl)-5-ethyl-1H-indole-3-carbaldehyde

2-(2-ethoxyphenyl)-5-ethyl-1H-indole-3-carbaldehyde (PubChem CID 3834482) has the molecular formula C19H19NO2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-(2-ethoxyphenyl)-5-ethyl-1H-indole-3-carbaldehyde.

Molecular Properties

Compound Name2-(2-ethoxyphenyl)-5-ethyl-1H-indole-3-carbaldehyde
PubChem CID3834482
Molecular FormulaC19H19NO2
Molecular Weight293.37 g/mol
Exact Mass293.14
IUPAC Name2-(2-ethoxyphenyl)-5-ethyl-1H-indole-3-carbaldehyde
SMILESCCOc1ccccc1-c1[nH]c2ccc(CC)cc2c1C=O
InChIInChI=1S/C19H19NO2/c1-3-13-9-10-17-15(11-13)16(12-21)19(20-17)14-7-5-6-8-18(14)22-4-2/h5-12,20H,3-4H2,1-2H3
InChIKeyLOODZBVMXGVBQA-UHFFFAOYSA-N
XLogP4.61
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-chlorophenyl)-5-ethyl-1H-indole-3-carbaldehyde
CID 3826061
2-(3,4-difluorophenyl)-5-ethyl-1H-indole-3-carbaldehyde
CID 3777313
2-[5-ethoxy-2-(2-ethoxyphenyl)-1H-indol-3-yl]acetic acid
CID 4004569
1-(2-ethoxyphenyl)-9H-carbazole
CID 175136892
2-(4-ethylphenyl)-5-nitro-1H-indole-3-carbaldehyde
CID 3736320
2-(2-methylphenyl)-5-propan-2-yl-1H-indole-3-carbaldehyde
CID 3790476
(2-ethoxy-4-ethylphenyl) 2-ethoxybenzoate
CID 176892639
1,4-diethoxynaphthalene-2,3-dicarbaldehyde
CID 88868655
2-(2-ethoxyphenyl)-1H-imidazole-5-carbaldehyde
CID 80502436
2-(2-chlorophenyl)-5-phenyl-1H-indole-3-carbaldehyde
CID 5188805
2-[2-(3-ethoxy-4-methoxyphenyl)-5-ethyl-1H-indol-3-yl]acetic acid
CID 4545229
4-[2-(2-ethoxyphenyl)-5-methoxy-1H-indol-3-yl]butan-1-amine
CID 4237687

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyphenyl)-5-ethyl-1H-indole-3-carbaldehyde?
The IUPAC name of 2-(2-ethoxyphenyl)-5-ethyl-1H-indole-3-carbaldehyde (CID 3834482) is 2-(2-ethoxyphenyl)-5-ethyl-1H-indole-3-carbaldehyde.
What is the SMILES notation for 2-(2-ethoxyphenyl)-5-ethyl-1H-indole-3-carbaldehyde?
The canonical SMILES for 2-(2-ethoxyphenyl)-5-ethyl-1H-indole-3-carbaldehyde is CCOc1ccccc1-c1[nH]c2ccc(CC)cc2c1C=O.
What is the InChIKey of 2-(2-ethoxyphenyl)-5-ethyl-1H-indole-3-carbaldehyde?
The InChIKey is LOODZBVMXGVBQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO2/c1-3-13-9-10-17-15(11-13)16(12-21)19(20-17)14-7-5-6-8-18(14)22-4-2/h5-12,20H,3-4H2,1-2H3.
What are the key properties of 2-(2-ethoxyphenyl)-5-ethyl-1H-indole-3-carbaldehyde?
2-(2-ethoxyphenyl)-5-ethyl-1H-indole-3-carbaldehyde has a molecular weight of 293.37 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyphenyl)-5-ethyl-1H-indole-3-carbaldehyde is sourced from PubChem (CID 3834482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).