2-(3,5-ditert-butyl-4-ethoxyphenyl)-6-ethylindolizine-3-carbaldehyde

C27H35NO2 — CID 3773979

IUPAC2-(3,5-ditert-butyl-4-ethoxyphenyl)-6-ethylindolizine-3-carbaldehyde
SMILESCCOc1c(C(C)(C)C)cc(-c2cc3ccc(CC)cn3c2C=O)cc1C(C)(C)C
InChIInChI=1S/C27H35NO2/c1-9-18-11-12-20-15-21(24(17-29)28(20)16-18)19-13-22(26(3,4)5)25(30-10-2)23(14-19)27(6,7)8/h11-17H,9-10H2,1-8H3
InChIKeyNYUAZDWXPVVBBQ-UHFFFAOYSA-N
MW405.58 g/mol
LogP6.97
Rot. Bonds5

About 2-(3,5-ditert-butyl-4-ethoxyphenyl)-6-ethylindolizine-3-carbaldehyde

2-(3,5-ditert-butyl-4-ethoxyphenyl)-6-ethylindolizine-3-carbaldehyde (PubChem CID 3773979) has the molecular formula C27H35NO2 and a molecular weight of 405.58 g/mol. Its IUPAC name is 2-(3,5-ditert-butyl-4-ethoxyphenyl)-6-ethylindolizine-3-carbaldehyde.

Molecular Properties

Compound Name2-(3,5-ditert-butyl-4-ethoxyphenyl)-6-ethylindolizine-3-carbaldehyde
PubChem CID3773979
Molecular FormulaC27H35NO2
Molecular Weight405.58 g/mol
Exact Mass405.27
IUPAC Name2-(3,5-ditert-butyl-4-ethoxyphenyl)-6-ethylindolizine-3-carbaldehyde
SMILESCCOc1c(C(C)(C)C)cc(-c2cc3ccc(CC)cn3c2C=O)cc1C(C)(C)C
InChIInChI=1S/C27H35NO2/c1-9-18-11-12-20-15-21(24(17-29)28(20)16-18)19-13-22(26(3,4)5)25(30-10-2)23(14-19)27(6,7)8/h11-17H,9-10H2,1-8H3
InChIKeyNYUAZDWXPVVBBQ-UHFFFAOYSA-N
XLogP6.97
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.58
LogP ≤ 56.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(3,5-ditert-butyl-4-ethoxyphenyl)-6-ethylindolizine-3-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3,5-ditert-butyl-4-ethoxyphenyl)-7-methylindolizine-3-carbaldehyde
CID 3794557
6-ethyl-2-(4-methoxy-3,5-dimethylphenyl)indolizine-3-carbaldehyde
CID 4314891
6-ethyl-2-pyridin-4-ylindolizine-3-carbaldehyde
CID 3764927
2-(2,4-diethoxynaphthalen-1-yl)-6-ethylindolizine-3-carbaldehyde
CID 3750994
6-ethyl-2-(4-ethylsulfanylphenyl)indolizine-3-carbaldehyde
CID 5104649
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
2-(1,2-dihydroacenaphthylen-5-yl)-6-ethylindolizine-3-carbaldehyde
CID 3750993
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-tert-butyl-4-phenylmethoxyphenyl)indolizine-3-carbaldehyde
CID 3817177
ethyl 2-[6-(3,5-ditert-butyl-4-ethoxyphenyl)-5-formylimidazo[2,1-b][1,3]thiazol-2-yl]acetate
CID 4265363

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-ditert-butyl-4-ethoxyphenyl)-6-ethylindolizine-3-carbaldehyde?
The IUPAC name of 2-(3,5-ditert-butyl-4-ethoxyphenyl)-6-ethylindolizine-3-carbaldehyde (CID 3773979) is 2-(3,5-ditert-butyl-4-ethoxyphenyl)-6-ethylindolizine-3-carbaldehyde.
What is the SMILES notation for 2-(3,5-ditert-butyl-4-ethoxyphenyl)-6-ethylindolizine-3-carbaldehyde?
The canonical SMILES for 2-(3,5-ditert-butyl-4-ethoxyphenyl)-6-ethylindolizine-3-carbaldehyde is CCOc1c(C(C)(C)C)cc(-c2cc3ccc(CC)cn3c2C=O)cc1C(C)(C)C.
What is the InChIKey of 2-(3,5-ditert-butyl-4-ethoxyphenyl)-6-ethylindolizine-3-carbaldehyde?
The InChIKey is NYUAZDWXPVVBBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35NO2/c1-9-18-11-12-20-15-21(24(17-29)28(20)16-18)19-13-22(26(3,4)5)25(30-10-2)23(14-19)27(6,7)8/h11-17H,9-10H2,1-8H3.
What are the key properties of 2-(3,5-ditert-butyl-4-ethoxyphenyl)-6-ethylindolizine-3-carbaldehyde?
2-(3,5-ditert-butyl-4-ethoxyphenyl)-6-ethylindolizine-3-carbaldehyde has a molecular weight of 405.58 g/mol, XLogP of 6.97, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-ditert-butyl-4-ethoxyphenyl)-6-ethylindolizine-3-carbaldehyde is sourced from PubChem (CID 3773979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).