6-ethyl-2-(4-methoxy-3-propan-2-ylphenyl)indolizine-3-carbaldehyde

C21H23NO2 — CID 3696408

IUPAC6-ethyl-2-(4-methoxy-3-propan-2-ylphenyl)indolizine-3-carbaldehyde
SMILESCCc1ccc2cc(-c3ccc(OC)c(C(C)C)c3)c(C=O)n2c1
InChIInChI=1S/C21H23NO2/c1-5-15-6-8-17-11-19(20(13-23)22(17)12-15)16-7-9-21(24-4)18(10-16)14(2)3/h6-14H,5H2,1-4H3
InChIKeyFVSBQOUFBMJNBW-UHFFFAOYSA-N
MW321.42 g/mol
LogP5.11
Rot. Bonds5

About 6-ethyl-2-(4-methoxy-3-propan-2-ylphenyl)indolizine-3-carbaldehyde

6-ethyl-2-(4-methoxy-3-propan-2-ylphenyl)indolizine-3-carbaldehyde (PubChem CID 3696408) has the molecular formula C21H23NO2 and a molecular weight of 321.42 g/mol. Its IUPAC name is 6-ethyl-2-(4-methoxy-3-propan-2-ylphenyl)indolizine-3-carbaldehyde.

Molecular Properties

Compound Name6-ethyl-2-(4-methoxy-3-propan-2-ylphenyl)indolizine-3-carbaldehyde
PubChem CID3696408
Molecular FormulaC21H23NO2
Molecular Weight321.42 g/mol
Exact Mass321.17
IUPAC Name6-ethyl-2-(4-methoxy-3-propan-2-ylphenyl)indolizine-3-carbaldehyde
SMILESCCc1ccc2cc(-c3ccc(OC)c(C(C)C)c3)c(C=O)n2c1
InChIInChI=1S/C21H23NO2/c1-5-15-6-8-17-11-19(20(13-23)22(17)12-15)16-7-9-21(24-4)18(10-16)14(2)3/h6-14H,5H2,1-4H3
InChIKeyFVSBQOUFBMJNBW-UHFFFAOYSA-N
XLogP5.11
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.42
LogP ≤ 55.11
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-propan-2-ylphenyl)indolizine-3-carbaldehyde
CID 3753661
6-ethyl-2-(4-methoxy-3,5-dimethylphenyl)indolizine-3-carbaldehyde
CID 4314891
6-ethyl-2-pyridin-4-ylindolizine-3-carbaldehyde
CID 3764927
6-ethyl-2-(4-ethylsulfanylphenyl)indolizine-3-carbaldehyde
CID 5104649
2-(2,4-diethoxynaphthalen-1-yl)-6-ethylindolizine-3-carbaldehyde
CID 3750994
ethane;4-ethyl-1-methoxy-2-propan-2-ylbenzene
CID 142904344
2-(4,5-dimethyl-2-phenylmethoxyphenyl)-6-ethylindolizine-3-carbaldehyde
CID 3819347
2-(5-chloro-4-methyl-2-phenylmethoxyphenyl)-6-ethylindolizine-3-carbaldehyde
CID 3652489
2-(3-chloro-4-methoxyphenyl)-7-methylindolizine-3-carbaldehyde
CID 3697846
2-(4-ethylphenyl)-7-methylindolizine-3-carbaldehyde
CID 3821498
2-(4-methoxy-3,5-dimethylphenyl)-6-methylindolizine-3-carbaldehyde
CID 3773404
2-(3-tert-butyl-4-methoxyphenyl)indolizine-3-carbaldehyde
CID 3651046

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-(4-methoxy-3-propan-2-ylphenyl)indolizine-3-carbaldehyde?
The IUPAC name of 6-ethyl-2-(4-methoxy-3-propan-2-ylphenyl)indolizine-3-carbaldehyde (CID 3696408) is 6-ethyl-2-(4-methoxy-3-propan-2-ylphenyl)indolizine-3-carbaldehyde.
What is the SMILES notation for 6-ethyl-2-(4-methoxy-3-propan-2-ylphenyl)indolizine-3-carbaldehyde?
The canonical SMILES for 6-ethyl-2-(4-methoxy-3-propan-2-ylphenyl)indolizine-3-carbaldehyde is CCc1ccc2cc(-c3ccc(OC)c(C(C)C)c3)c(C=O)n2c1.
What is the InChIKey of 6-ethyl-2-(4-methoxy-3-propan-2-ylphenyl)indolizine-3-carbaldehyde?
The InChIKey is FVSBQOUFBMJNBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO2/c1-5-15-6-8-17-11-19(20(13-23)22(17)12-15)16-7-9-21(24-4)18(10-16)14(2)3/h6-14H,5H2,1-4H3.
What are the key properties of 6-ethyl-2-(4-methoxy-3-propan-2-ylphenyl)indolizine-3-carbaldehyde?
6-ethyl-2-(4-methoxy-3-propan-2-ylphenyl)indolizine-3-carbaldehyde has a molecular weight of 321.42 g/mol, XLogP of 5.11, 5 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-propan-2-ylphenyl)indolizine-3-carbaldehyde is sourced from PubChem (CID 3696408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).