2-(5-ethyl-2-phenylmethoxyphenyl)indolizine-3-carbaldehyde

C24H21NO2 — CID 3760707

IUPAC2-(5-ethyl-2-phenylmethoxyphenyl)indolizine-3-carbaldehyde
SMILESCCc1ccc(OCc2ccccc2)c(-c2cc3ccccn3c2C=O)c1
InChIInChI=1S/C24H21NO2/c1-2-18-11-12-24(27-17-19-8-4-3-5-9-19)22(14-18)21-15-20-10-6-7-13-25(20)23(21)16-26/h3-16H,2,17H2,1H3
InChIKeyPLHSNCIZDAQIKQ-UHFFFAOYSA-N
MW355.44 g/mol
LogP5.56
Rot. Bonds6

About 2-(5-ethyl-2-phenylmethoxyphenyl)indolizine-3-carbaldehyde

2-(5-ethyl-2-phenylmethoxyphenyl)indolizine-3-carbaldehyde (PubChem CID 3760707) has the molecular formula C24H21NO2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 2-(5-ethyl-2-phenylmethoxyphenyl)indolizine-3-carbaldehyde.

Molecular Properties

Compound Name2-(5-ethyl-2-phenylmethoxyphenyl)indolizine-3-carbaldehyde
PubChem CID3760707
Molecular FormulaC24H21NO2
Molecular Weight355.44 g/mol
Exact Mass355.16
IUPAC Name2-(5-ethyl-2-phenylmethoxyphenyl)indolizine-3-carbaldehyde
SMILESCCc1ccc(OCc2ccccc2)c(-c2cc3ccccn3c2C=O)c1
InChIInChI=1S/C24H21NO2/c1-2-18-11-12-24(27-17-19-8-4-3-5-9-19)22(14-18)21-15-20-10-6-7-13-25(20)23(21)16-26/h3-16H,2,17H2,1H3
InChIKeyPLHSNCIZDAQIKQ-UHFFFAOYSA-N
XLogP5.56
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.44
LogP ≤ 55.56
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-(2-phenylmethoxy-5-propan-2-ylphenyl)indolizine-3-carbaldehyde
CID 3828303
2-(4,5-dimethyl-2-phenylmethoxyphenyl)-6-ethylindolizine-3-carbaldehyde
CID 3819347
2-(3-tert-butyl-4-phenylmethoxyphenyl)indolizine-3-carbaldehyde
CID 3817177
2-(5-chloro-4-methyl-2-phenylmethoxyphenyl)-6-ethylindolizine-3-carbaldehyde
CID 3652489
6-ethyl-2-(3-methyl-4-phenylmethoxyphenyl)indolizine-3-carbaldehyde
CID 3533161
6-methyl-2-(2-phenylmethoxyphenyl)indolizine-3-carbaldehyde
CID 4254020
2-(5-butan-2-yl-2-phenylmethoxyphenyl)-8-methylindolizine-3-carbaldehyde
CID 3719157
6-methyl-2-(5-nitro-2-phenylmethoxyphenyl)indolizine-3-carbaldehyde
CID 3580229
ethyl 2-(5-fluoro-2-phenylmethoxyphenyl)-3-formylindolizine-1-carboxylate
CID 3828987
ethyl 2-(5-chloro-2-phenylmethoxyphenyl)-3-formylindolizine-1-carboxylate
CID 3697203
7-methyl-2-(3-nitro-4-phenylmethoxyphenyl)indolizine-3-carbaldehyde
CID 3837589
2-(3-chloro-4-phenylmethoxyphenyl)-8-methylindolizine-3-carbaldehyde
CID 3697340

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethyl-2-phenylmethoxyphenyl)indolizine-3-carbaldehyde?
The IUPAC name of 2-(5-ethyl-2-phenylmethoxyphenyl)indolizine-3-carbaldehyde (CID 3760707) is 2-(5-ethyl-2-phenylmethoxyphenyl)indolizine-3-carbaldehyde.
What is the SMILES notation for 2-(5-ethyl-2-phenylmethoxyphenyl)indolizine-3-carbaldehyde?
The canonical SMILES for 2-(5-ethyl-2-phenylmethoxyphenyl)indolizine-3-carbaldehyde is CCc1ccc(OCc2ccccc2)c(-c2cc3ccccn3c2C=O)c1.
What is the InChIKey of 2-(5-ethyl-2-phenylmethoxyphenyl)indolizine-3-carbaldehyde?
The InChIKey is PLHSNCIZDAQIKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO2/c1-2-18-11-12-24(27-17-19-8-4-3-5-9-19)22(14-18)21-15-20-10-6-7-13-25(20)23(21)16-26/h3-16H,2,17H2,1H3.
What are the key properties of 2-(5-ethyl-2-phenylmethoxyphenyl)indolizine-3-carbaldehyde?
2-(5-ethyl-2-phenylmethoxyphenyl)indolizine-3-carbaldehyde has a molecular weight of 355.44 g/mol, XLogP of 5.56, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethyl-2-phenylmethoxyphenyl)indolizine-3-carbaldehyde is sourced from PubChem (CID 3760707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).