2-(3,5-dimethyl-4-phenylmethoxyphenyl)-8-methylindolizine-3-carbaldehyde

C25H23NO2 — CID 3796993

IUPAC2-(3,5-dimethyl-4-phenylmethoxyphenyl)-8-methylindolizine-3-carbaldehyde
SMILESCc1cc(-c2cc3c(C)cccn3c2C=O)cc(C)c1OCc1ccccc1
InChIInChI=1S/C25H23NO2/c1-17-8-7-11-26-23(17)14-22(24(26)15-27)21-12-18(2)25(19(3)13-21)28-16-20-9-5-4-6-10-20/h4-15H,16H2,1-3H3
InChIKeyBUKKXUMSAIOWCX-UHFFFAOYSA-N
MW369.46 g/mol
LogP5.92
Rot. Bonds5

About 2-(3,5-dimethyl-4-phenylmethoxyphenyl)-8-methylindolizine-3-carbaldehyde

2-(3,5-dimethyl-4-phenylmethoxyphenyl)-8-methylindolizine-3-carbaldehyde (PubChem CID 3796993) has the molecular formula C25H23NO2 and a molecular weight of 369.46 g/mol. Its IUPAC name is 2-(3,5-dimethyl-4-phenylmethoxyphenyl)-8-methylindolizine-3-carbaldehyde.

Molecular Properties

Compound Name2-(3,5-dimethyl-4-phenylmethoxyphenyl)-8-methylindolizine-3-carbaldehyde
PubChem CID3796993
Molecular FormulaC25H23NO2
Molecular Weight369.46 g/mol
Exact Mass369.17
IUPAC Name2-(3,5-dimethyl-4-phenylmethoxyphenyl)-8-methylindolizine-3-carbaldehyde
SMILESCc1cc(-c2cc3c(C)cccn3c2C=O)cc(C)c1OCc1ccccc1
InChIInChI=1S/C25H23NO2/c1-17-8-7-11-26-23(17)14-22(24(26)15-27)21-12-18(2)25(19(3)13-21)28-16-20-9-5-4-6-10-20/h4-15H,16H2,1-3H3
InChIKeyBUKKXUMSAIOWCX-UHFFFAOYSA-N
XLogP5.92
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.46
LogP ≤ 55.92
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-(3-chloro-4-phenylmethoxyphenyl)-8-methylindolizine-3-carbaldehyde
CID 3697340
8-methyl-2-(4-phenylphenyl)indolizine-3-carbaldehyde
CID 3837530
2-(5-butan-2-yl-2-phenylmethoxyphenyl)-8-methylindolizine-3-carbaldehyde
CID 3719157
2-(4-fluorophenyl)-8-methylindolizine-3-carbaldehyde
CID 3552647
2-(4-chlorophenyl)-8-methylindolizine-3-carbaldehyde
CID 3403096
2-(4-tert-butylphenyl)-8-methylindolizine-3-carbaldehyde
CID 3836029
8-methyl-2-(2,4,6-trimethylphenyl)indolizine-3-carbaldehyde
CID 3451142
2-(3-butan-2-yl-4-ethoxyphenyl)-8-methylindolizine-3-carbaldehyde
CID 5195486
2-(2-benzylsulfanyl-5-chlorophenyl)-8-methylindolizine-3-carbaldehyde
CID 3734049
2-(2,5-dimethylthiophen-3-yl)-8-methylindolizine-3-carbaldehyde
CID 3613512
2-(2-ethoxy-5-propan-2-ylphenyl)-8-methylindolizine-3-carbaldehyde
CID 3590474
6-ethyl-2-(3-methyl-4-phenylmethoxyphenyl)indolizine-3-carbaldehyde
CID 3533161

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-4-phenylmethoxyphenyl)-8-methylindolizine-3-carbaldehyde?
The IUPAC name of 2-(3,5-dimethyl-4-phenylmethoxyphenyl)-8-methylindolizine-3-carbaldehyde (CID 3796993) is 2-(3,5-dimethyl-4-phenylmethoxyphenyl)-8-methylindolizine-3-carbaldehyde.
What is the SMILES notation for 2-(3,5-dimethyl-4-phenylmethoxyphenyl)-8-methylindolizine-3-carbaldehyde?
The canonical SMILES for 2-(3,5-dimethyl-4-phenylmethoxyphenyl)-8-methylindolizine-3-carbaldehyde is Cc1cc(-c2cc3c(C)cccn3c2C=O)cc(C)c1OCc1ccccc1.
What is the InChIKey of 2-(3,5-dimethyl-4-phenylmethoxyphenyl)-8-methylindolizine-3-carbaldehyde?
The InChIKey is BUKKXUMSAIOWCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NO2/c1-17-8-7-11-26-23(17)14-22(24(26)15-27)21-12-18(2)25(19(3)13-21)28-16-20-9-5-4-6-10-20/h4-15H,16H2,1-3H3.
What are the key properties of 2-(3,5-dimethyl-4-phenylmethoxyphenyl)-8-methylindolizine-3-carbaldehyde?
2-(3,5-dimethyl-4-phenylmethoxyphenyl)-8-methylindolizine-3-carbaldehyde has a molecular weight of 369.46 g/mol, XLogP of 5.92, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-4-phenylmethoxyphenyl)-8-methylindolizine-3-carbaldehyde is sourced from PubChem (CID 3796993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).