6-methyl-2-(2-phenylmethoxyphenyl)indolizine-3-carbaldehyde

C23H19NO2 — CID 4254020

IUPAC6-methyl-2-(2-phenylmethoxyphenyl)indolizine-3-carbaldehyde
SMILESCc1ccc2cc(-c3ccccc3OCc3ccccc3)c(C=O)n2c1
InChIInChI=1S/C23H19NO2/c1-17-11-12-19-13-21(22(15-25)24(19)14-17)20-9-5-6-10-23(20)26-16-18-7-3-2-4-8-18/h2-15H,16H2,1H3
InChIKeyNXFUGHKDUBDWKE-UHFFFAOYSA-N
MW341.41 g/mol
LogP5.31
Rot. Bonds5

About 6-methyl-2-(2-phenylmethoxyphenyl)indolizine-3-carbaldehyde

6-methyl-2-(2-phenylmethoxyphenyl)indolizine-3-carbaldehyde (PubChem CID 4254020) has the molecular formula C23H19NO2 and a molecular weight of 341.41 g/mol. Its IUPAC name is 6-methyl-2-(2-phenylmethoxyphenyl)indolizine-3-carbaldehyde.

Molecular Properties

Compound Name6-methyl-2-(2-phenylmethoxyphenyl)indolizine-3-carbaldehyde
PubChem CID4254020
Molecular FormulaC23H19NO2
Molecular Weight341.41 g/mol
Exact Mass341.14
IUPAC Name6-methyl-2-(2-phenylmethoxyphenyl)indolizine-3-carbaldehyde
SMILESCc1ccc2cc(-c3ccccc3OCc3ccccc3)c(C=O)n2c1
InChIInChI=1S/C23H19NO2/c1-17-11-12-19-13-21(22(15-25)24(19)14-17)20-9-5-6-10-23(20)26-16-18-7-3-2-4-8-18/h2-15H,16H2,1H3
InChIKeyNXFUGHKDUBDWKE-UHFFFAOYSA-N
XLogP5.31
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.41
LogP ≤ 55.31
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

6-methyl-2-(5-nitro-2-phenylmethoxyphenyl)indolizine-3-carbaldehyde
CID 3580229
2-(2-chloro-4-phenylmethoxyphenyl)-6-methylindolizine-3-carbaldehyde
CID 3768447
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
6-ethyl-2-(3-methyl-4-phenylmethoxyphenyl)indolizine-3-carbaldehyde
CID 3533161
2-(5-ethyl-2-phenylmethoxyphenyl)indolizine-3-carbaldehyde
CID 3760707
2-(2-phenylmethoxy-5-propan-2-ylphenyl)indolizine-3-carbaldehyde
CID 3828303
2-(5-butan-2-yl-2-ethoxyphenyl)-6-methylindolizine-3-carbaldehyde
CID 3743969
2-(2-ethoxy-5-octylphenyl)-6-methylindolizine-3-carbaldehyde
CID 3691811
2-(2,5-dichloro-4-methoxyphenyl)-6-methylindolizine-3-carbaldehyde
CID 5196502
2-(3-tert-butyl-4-phenylmethoxyphenyl)indolizine-3-carbaldehyde
CID 3817177
5-methyl-2-phenylmethoxybenzaldehyde
CID 1247883

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(2-phenylmethoxyphenyl)indolizine-3-carbaldehyde?
The IUPAC name of 6-methyl-2-(2-phenylmethoxyphenyl)indolizine-3-carbaldehyde (CID 4254020) is 6-methyl-2-(2-phenylmethoxyphenyl)indolizine-3-carbaldehyde.
What is the SMILES notation for 6-methyl-2-(2-phenylmethoxyphenyl)indolizine-3-carbaldehyde?
The canonical SMILES for 6-methyl-2-(2-phenylmethoxyphenyl)indolizine-3-carbaldehyde is Cc1ccc2cc(-c3ccccc3OCc3ccccc3)c(C=O)n2c1.
What is the InChIKey of 6-methyl-2-(2-phenylmethoxyphenyl)indolizine-3-carbaldehyde?
The InChIKey is NXFUGHKDUBDWKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO2/c1-17-11-12-19-13-21(22(15-25)24(19)14-17)20-9-5-6-10-23(20)26-16-18-7-3-2-4-8-18/h2-15H,16H2,1H3.
What are the key properties of 6-methyl-2-(2-phenylmethoxyphenyl)indolizine-3-carbaldehyde?
6-methyl-2-(2-phenylmethoxyphenyl)indolizine-3-carbaldehyde has a molecular weight of 341.41 g/mol, XLogP of 5.31, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(2-phenylmethoxyphenyl)indolizine-3-carbaldehyde is sourced from PubChem (CID 4254020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).