2-(2-phenylmethoxy-5-propan-2-ylphenyl)indolizine-3-carbaldehyde

C25H23NO2 — CID 3828303

IUPAC2-(2-phenylmethoxy-5-propan-2-ylphenyl)indolizine-3-carbaldehyde
SMILESCC(C)c1ccc(OCc2ccccc2)c(-c2cc3ccccn3c2C=O)c1
InChIInChI=1S/C25H23NO2/c1-18(2)20-11-12-25(28-17-19-8-4-3-5-9-19)23(14-20)22-15-21-10-6-7-13-26(21)24(22)16-27/h3-16,18H,17H2,1-2H3
InChIKeyDOVFFVNXSDNYAZ-UHFFFAOYSA-N
MW369.46 g/mol
LogP6.12
Rot. Bonds6

About 2-(2-phenylmethoxy-5-propan-2-ylphenyl)indolizine-3-carbaldehyde

2-(2-phenylmethoxy-5-propan-2-ylphenyl)indolizine-3-carbaldehyde (PubChem CID 3828303) has the molecular formula C25H23NO2 and a molecular weight of 369.46 g/mol. Its IUPAC name is 2-(2-phenylmethoxy-5-propan-2-ylphenyl)indolizine-3-carbaldehyde.

Molecular Properties

Compound Name2-(2-phenylmethoxy-5-propan-2-ylphenyl)indolizine-3-carbaldehyde
PubChem CID3828303
Molecular FormulaC25H23NO2
Molecular Weight369.46 g/mol
Exact Mass369.17
IUPAC Name2-(2-phenylmethoxy-5-propan-2-ylphenyl)indolizine-3-carbaldehyde
SMILESCC(C)c1ccc(OCc2ccccc2)c(-c2cc3ccccn3c2C=O)c1
InChIInChI=1S/C25H23NO2/c1-18(2)20-11-12-25(28-17-19-8-4-3-5-9-19)23(14-20)22-15-21-10-6-7-13-26(21)24(22)16-27/h3-16,18H,17H2,1-2H3
InChIKeyDOVFFVNXSDNYAZ-UHFFFAOYSA-N
XLogP6.12
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.46
LogP ≤ 56.12
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-(5-butan-2-yl-2-phenylmethoxyphenyl)-8-methylindolizine-3-carbaldehyde
CID 3719157
2-(3-tert-butyl-4-phenylmethoxyphenyl)indolizine-3-carbaldehyde
CID 3817177
2-phenylmethoxy-5-propan-2-ylbenzaldehyde
CID 87719757
2-(2-ethoxy-5-propan-2-ylphenyl)-8-methylindolizine-3-carbaldehyde
CID 3590474
6-methyl-2-(2-phenylmethoxyphenyl)indolizine-3-carbaldehyde
CID 4254020
6-methyl-2-(5-nitro-2-phenylmethoxyphenyl)indolizine-3-carbaldehyde
CID 3580229
2-(4,5-dimethyl-2-phenylmethoxyphenyl)-6-ethylindolizine-3-carbaldehyde
CID 3819347
4-(2-phenylmethoxy-5-propan-2-ylphenyl)-1,2-oxazole-3-carboxylic acid
CID 174785797
2-(5-chloro-4-methyl-2-phenylmethoxyphenyl)-6-ethylindolizine-3-carbaldehyde
CID 3652489
2-(3-chloro-4-phenylmethoxyphenyl)-8-methylindolizine-3-carbaldehyde
CID 3697340
6-ethyl-2-(3-methyl-4-phenylmethoxyphenyl)indolizine-3-carbaldehyde
CID 3533161

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylmethoxy-5-propan-2-ylphenyl)indolizine-3-carbaldehyde?
The IUPAC name of 2-(2-phenylmethoxy-5-propan-2-ylphenyl)indolizine-3-carbaldehyde (CID 3828303) is 2-(2-phenylmethoxy-5-propan-2-ylphenyl)indolizine-3-carbaldehyde.
What is the SMILES notation for 2-(2-phenylmethoxy-5-propan-2-ylphenyl)indolizine-3-carbaldehyde?
The canonical SMILES for 2-(2-phenylmethoxy-5-propan-2-ylphenyl)indolizine-3-carbaldehyde is CC(C)c1ccc(OCc2ccccc2)c(-c2cc3ccccn3c2C=O)c1.
What is the InChIKey of 2-(2-phenylmethoxy-5-propan-2-ylphenyl)indolizine-3-carbaldehyde?
The InChIKey is DOVFFVNXSDNYAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NO2/c1-18(2)20-11-12-25(28-17-19-8-4-3-5-9-19)23(14-20)22-15-21-10-6-7-13-26(21)24(22)16-27/h3-16,18H,17H2,1-2H3.
What are the key properties of 2-(2-phenylmethoxy-5-propan-2-ylphenyl)indolizine-3-carbaldehyde?
2-(2-phenylmethoxy-5-propan-2-ylphenyl)indolizine-3-carbaldehyde has a molecular weight of 369.46 g/mol, XLogP of 6.12, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylmethoxy-5-propan-2-ylphenyl)indolizine-3-carbaldehyde is sourced from PubChem (CID 3828303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).