6-ethyl-2-(4-methoxy-3,5-dimethylphenyl)indolizine-3-carbaldehyde

C20H21NO2 — CID 4314891

IUPAC6-ethyl-2-(4-methoxy-3,5-dimethylphenyl)indolizine-3-carbaldehyde
SMILESCCc1ccc2cc(-c3cc(C)c(OC)c(C)c3)c(C=O)n2c1
InChIInChI=1S/C20H21NO2/c1-5-15-6-7-17-10-18(19(12-22)21(17)11-15)16-8-13(2)20(23-4)14(3)9-16/h6-12H,5H2,1-4H3
InChIKeyMIVMXSISAFUAEA-UHFFFAOYSA-N
MW307.39 g/mol
LogP4.61
Rot. Bonds4

About 6-ethyl-2-(4-methoxy-3,5-dimethylphenyl)indolizine-3-carbaldehyde

6-ethyl-2-(4-methoxy-3,5-dimethylphenyl)indolizine-3-carbaldehyde (PubChem CID 4314891) has the molecular formula C20H21NO2 and a molecular weight of 307.39 g/mol. Its IUPAC name is 6-ethyl-2-(4-methoxy-3,5-dimethylphenyl)indolizine-3-carbaldehyde.

Molecular Properties

Compound Name6-ethyl-2-(4-methoxy-3,5-dimethylphenyl)indolizine-3-carbaldehyde
PubChem CID4314891
Molecular FormulaC20H21NO2
Molecular Weight307.39 g/mol
Exact Mass307.16
IUPAC Name6-ethyl-2-(4-methoxy-3,5-dimethylphenyl)indolizine-3-carbaldehyde
SMILESCCc1ccc2cc(-c3cc(C)c(OC)c(C)c3)c(C=O)n2c1
InChIInChI=1S/C20H21NO2/c1-5-15-6-7-17-10-18(19(12-22)21(17)11-15)16-8-13(2)20(23-4)14(3)9-16/h6-12H,5H2,1-4H3
InChIKeyMIVMXSISAFUAEA-UHFFFAOYSA-N
XLogP4.61
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methoxy-3,5-dimethylphenyl)-6-methylindolizine-3-carbaldehyde
CID 3773404
6-ethyl-2-pyridin-4-ylindolizine-3-carbaldehyde
CID 3764927
6-ethyl-2-(4-methoxy-3-propan-2-ylphenyl)indolizine-3-carbaldehyde
CID 3696408
6-ethyl-2-(3-methyl-4-phenylmethoxyphenyl)indolizine-3-carbaldehyde
CID 3533161
6-ethyl-2-(4-ethylsulfanylphenyl)indolizine-3-carbaldehyde
CID 5104649
2-(4,5-dimethyl-2-phenylmethoxyphenyl)-6-ethylindolizine-3-carbaldehyde
CID 3819347
2-(2,4-diethoxynaphthalen-1-yl)-6-ethylindolizine-3-carbaldehyde
CID 3750994
2-(1,2-dihydroacenaphthylen-5-yl)-6-ethylindolizine-3-carbaldehyde
CID 3750993
2-(5-chloro-4-methyl-2-phenylmethoxyphenyl)-6-ethylindolizine-3-carbaldehyde
CID 3652489
2-(4-ethylphenyl)-7-methylindolizine-3-carbaldehyde
CID 3821498
2-(2-ethoxy-5-octylphenyl)-6-methylindolizine-3-carbaldehyde
CID 3691811
2-(2,5-dichloro-4-methoxyphenyl)-6-methylindolizine-3-carbaldehyde
CID 5196502

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-(4-methoxy-3,5-dimethylphenyl)indolizine-3-carbaldehyde?
The IUPAC name of 6-ethyl-2-(4-methoxy-3,5-dimethylphenyl)indolizine-3-carbaldehyde (CID 4314891) is 6-ethyl-2-(4-methoxy-3,5-dimethylphenyl)indolizine-3-carbaldehyde.
What is the SMILES notation for 6-ethyl-2-(4-methoxy-3,5-dimethylphenyl)indolizine-3-carbaldehyde?
The canonical SMILES for 6-ethyl-2-(4-methoxy-3,5-dimethylphenyl)indolizine-3-carbaldehyde is CCc1ccc2cc(-c3cc(C)c(OC)c(C)c3)c(C=O)n2c1.
What is the InChIKey of 6-ethyl-2-(4-methoxy-3,5-dimethylphenyl)indolizine-3-carbaldehyde?
The InChIKey is MIVMXSISAFUAEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO2/c1-5-15-6-7-17-10-18(19(12-22)21(17)11-15)16-8-13(2)20(23-4)14(3)9-16/h6-12H,5H2,1-4H3.
What are the key properties of 6-ethyl-2-(4-methoxy-3,5-dimethylphenyl)indolizine-3-carbaldehyde?
6-ethyl-2-(4-methoxy-3,5-dimethylphenyl)indolizine-3-carbaldehyde has a molecular weight of 307.39 g/mol, XLogP of 4.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-(4-methoxy-3,5-dimethylphenyl)indolizine-3-carbaldehyde is sourced from PubChem (CID 4314891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).