2-(3-tert-butyl-4-methoxyphenyl)indolizine-3-carbaldehyde

C20H21NO2 — CID 3651046

IUPAC2-(3-tert-butyl-4-methoxyphenyl)indolizine-3-carbaldehyde
SMILESCOc1ccc(-c2cc3ccccn3c2C=O)cc1C(C)(C)C
InChIInChI=1S/C20H21NO2/c1-20(2,3)17-11-14(8-9-19(17)23-4)16-12-15-7-5-6-10-21(15)18(16)13-22/h5-13H,1-4H3
InChIKeyIHSISUUWOPBVPL-UHFFFAOYSA-N
MW307.39 g/mol
LogP4.72
Rot. Bonds3

About 2-(3-tert-butyl-4-methoxyphenyl)indolizine-3-carbaldehyde

2-(3-tert-butyl-4-methoxyphenyl)indolizine-3-carbaldehyde (PubChem CID 3651046) has the molecular formula C20H21NO2 and a molecular weight of 307.39 g/mol. Its IUPAC name is 2-(3-tert-butyl-4-methoxyphenyl)indolizine-3-carbaldehyde.

Molecular Properties

Compound Name2-(3-tert-butyl-4-methoxyphenyl)indolizine-3-carbaldehyde
PubChem CID3651046
Molecular FormulaC20H21NO2
Molecular Weight307.39 g/mol
Exact Mass307.16
IUPAC Name2-(3-tert-butyl-4-methoxyphenyl)indolizine-3-carbaldehyde
SMILESCOc1ccc(-c2cc3ccccn3c2C=O)cc1C(C)(C)C
InChIInChI=1S/C20H21NO2/c1-20(2,3)17-11-14(8-9-19(17)23-4)16-12-15-7-5-6-10-21(15)18(16)13-22/h5-13H,1-4H3
InChIKeyIHSISUUWOPBVPL-UHFFFAOYSA-N
XLogP4.72
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 54.72
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-(3-tert-butyl-4-phenylmethoxyphenyl)indolizine-3-carbaldehyde
CID 3817177
2-(4-methoxy-3-propan-2-ylphenyl)indolizine-3-carbaldehyde
CID 3753661
2-(4-chloro-3-methylphenyl)indolizine-3-carbaldehyde
CID 4680448
ethyl 2-(3-tert-butyl-4-methoxyphenyl)-3-formylindolizine-1-carboxylate
CID 3693687
6-(3-tert-butyl-4-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 3758996
2-(3-chloro-4-methoxyphenyl)-7-methylindolizine-3-carbaldehyde
CID 3697846
2-tert-butylindolizine-3-carbothialdehyde
CID 1214540
3-tert-butyl-4-methoxybenzaldehyde
CID 3774604
2-(3,5-ditert-butyl-4-ethoxyphenyl)-7-methylindolizine-3-carbaldehyde
CID 3794557
2-(5-tert-butyl-2-methoxyphenyl)-6-methylindolizine-3-carbaldehyde
CID 3696407
2-(4-methoxyphenyl)-7-methylindolizine-3-carbaldehyde
CID 3786843
6-ethyl-2-(4-methoxy-3-propan-2-ylphenyl)indolizine-3-carbaldehyde
CID 3696408

Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butyl-4-methoxyphenyl)indolizine-3-carbaldehyde?
The IUPAC name of 2-(3-tert-butyl-4-methoxyphenyl)indolizine-3-carbaldehyde (CID 3651046) is 2-(3-tert-butyl-4-methoxyphenyl)indolizine-3-carbaldehyde.
What is the SMILES notation for 2-(3-tert-butyl-4-methoxyphenyl)indolizine-3-carbaldehyde?
The canonical SMILES for 2-(3-tert-butyl-4-methoxyphenyl)indolizine-3-carbaldehyde is COc1ccc(-c2cc3ccccn3c2C=O)cc1C(C)(C)C.
What is the InChIKey of 2-(3-tert-butyl-4-methoxyphenyl)indolizine-3-carbaldehyde?
The InChIKey is IHSISUUWOPBVPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO2/c1-20(2,3)17-11-14(8-9-19(17)23-4)16-12-15-7-5-6-10-21(15)18(16)13-22/h5-13H,1-4H3.
What are the key properties of 2-(3-tert-butyl-4-methoxyphenyl)indolizine-3-carbaldehyde?
2-(3-tert-butyl-4-methoxyphenyl)indolizine-3-carbaldehyde has a molecular weight of 307.39 g/mol, XLogP of 4.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-tert-butyl-4-methoxyphenyl)indolizine-3-carbaldehyde is sourced from PubChem (CID 3651046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).