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

C26H25NO2 — CID 3817177

IUPAC2-(3-tert-butyl-4-phenylmethoxyphenyl)indolizine-3-carbaldehyde
SMILESCC(C)(C)c1cc(-c2cc3ccccn3c2C=O)ccc1OCc1ccccc1
InChIInChI=1S/C26H25NO2/c1-26(2,3)23-15-20(12-13-25(23)29-18-19-9-5-4-6-10-19)22-16-21-11-7-8-14-27(21)24(22)17-28/h4-17H,18H2,1-3H3
InChIKeySFYNGVCLJMEUIV-UHFFFAOYSA-N
MW383.49 g/mol
LogP6.30
Rot. Bonds5

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

2-(3-tert-butyl-4-phenylmethoxyphenyl)indolizine-3-carbaldehyde (PubChem CID 3817177) has the molecular formula C26H25NO2 and a molecular weight of 383.49 g/mol. Its IUPAC name is 2-(3-tert-butyl-4-phenylmethoxyphenyl)indolizine-3-carbaldehyde.

Molecular Properties

Compound Name2-(3-tert-butyl-4-phenylmethoxyphenyl)indolizine-3-carbaldehyde
PubChem CID3817177
Molecular FormulaC26H25NO2
Molecular Weight383.49 g/mol
Exact Mass383.19
IUPAC Name2-(3-tert-butyl-4-phenylmethoxyphenyl)indolizine-3-carbaldehyde
SMILESCC(C)(C)c1cc(-c2cc3ccccn3c2C=O)ccc1OCc1ccccc1
InChIInChI=1S/C26H25NO2/c1-26(2,3)23-15-20(12-13-25(23)29-18-19-9-5-4-6-10-19)22-16-21-11-7-8-14-27(21)24(22)17-28/h4-17H,18H2,1-3H3
InChIKeySFYNGVCLJMEUIV-UHFFFAOYSA-N
XLogP6.30
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.49
LogP ≤ 56.30
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-(5-ethyl-2-phenylmethoxyphenyl)indolizine-3-carbaldehyde
CID 3760707
2-(2-phenylmethoxy-5-propan-2-ylphenyl)indolizine-3-carbaldehyde
CID 3828303
6-ethyl-2-(3-methyl-4-phenylmethoxyphenyl)indolizine-3-carbaldehyde
CID 3533161
7-methyl-2-(3-nitro-4-phenylmethoxyphenyl)indolizine-3-carbaldehyde
CID 3837589
2-(3-chloro-4-phenylmethoxyphenyl)-8-methylindolizine-3-carbaldehyde
CID 3697340
4-(3-tert-butyl-4-phenylmethoxyphenyl)-1,3-thiazole-2-carbaldehyde
CID 3700203
2-(4-chloro-3-methylphenyl)indolizine-3-carbaldehyde
CID 4680448
6-methyl-2-(2-phenylmethoxyphenyl)indolizine-3-carbaldehyde
CID 4254020
2-(3,5-dimethyl-4-phenylmethoxyphenyl)-8-methylindolizine-3-carbaldehyde
CID 3796993
ethyl 2-(3-tert-butyl-4-ethoxyphenyl)-3-formylindolizine-1-carboxylate
CID 3817176
2-(4,5-dimethyl-2-phenylmethoxyphenyl)-6-ethylindolizine-3-carbaldehyde
CID 3819347
2-tert-butyl-4-methylsulfanyl-1-phenylmethoxybenzene
CID 126677080

Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butyl-4-phenylmethoxyphenyl)indolizine-3-carbaldehyde?
The IUPAC name of 2-(3-tert-butyl-4-phenylmethoxyphenyl)indolizine-3-carbaldehyde (CID 3817177) is 2-(3-tert-butyl-4-phenylmethoxyphenyl)indolizine-3-carbaldehyde.
What is the SMILES notation for 2-(3-tert-butyl-4-phenylmethoxyphenyl)indolizine-3-carbaldehyde?
The canonical SMILES for 2-(3-tert-butyl-4-phenylmethoxyphenyl)indolizine-3-carbaldehyde is CC(C)(C)c1cc(-c2cc3ccccn3c2C=O)ccc1OCc1ccccc1.
What is the InChIKey of 2-(3-tert-butyl-4-phenylmethoxyphenyl)indolizine-3-carbaldehyde?
The InChIKey is SFYNGVCLJMEUIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25NO2/c1-26(2,3)23-15-20(12-13-25(23)29-18-19-9-5-4-6-10-19)22-16-21-11-7-8-14-27(21)24(22)17-28/h4-17H,18H2,1-3H3.
What are the key properties of 2-(3-tert-butyl-4-phenylmethoxyphenyl)indolizine-3-carbaldehyde?
2-(3-tert-butyl-4-phenylmethoxyphenyl)indolizine-3-carbaldehyde has a molecular weight of 383.49 g/mol, XLogP of 6.30, 5 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-phenylmethoxyphenyl)indolizine-3-carbaldehyde is sourced from PubChem (CID 3817177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).