2-(4,5-dimethyl-2-phenylmethoxyphenyl)-6-ethylindolizine-3-carbaldehyde

C26H25NO2 — CID 3819347

IUPAC2-(4,5-dimethyl-2-phenylmethoxyphenyl)-6-ethylindolizine-3-carbaldehyde
SMILESCCc1ccc2cc(-c3cc(C)c(C)cc3OCc3ccccc3)c(C=O)n2c1
InChIInChI=1S/C26H25NO2/c1-4-20-10-11-22-14-23(25(16-28)27(22)15-20)24-12-18(2)19(3)13-26(24)29-17-21-8-6-5-7-9-21/h5-16H,4,17H2,1-3H3
InChIKeySSVOTCCDSSUDEU-UHFFFAOYSA-N
MW383.49 g/mol
LogP6.18
Rot. Bonds6

About 2-(4,5-dimethyl-2-phenylmethoxyphenyl)-6-ethylindolizine-3-carbaldehyde

2-(4,5-dimethyl-2-phenylmethoxyphenyl)-6-ethylindolizine-3-carbaldehyde (PubChem CID 3819347) has the molecular formula C26H25NO2 and a molecular weight of 383.49 g/mol. Its IUPAC name is 2-(4,5-dimethyl-2-phenylmethoxyphenyl)-6-ethylindolizine-3-carbaldehyde.

Molecular Properties

Compound Name2-(4,5-dimethyl-2-phenylmethoxyphenyl)-6-ethylindolizine-3-carbaldehyde
PubChem CID3819347
Molecular FormulaC26H25NO2
Molecular Weight383.49 g/mol
Exact Mass383.19
IUPAC Name2-(4,5-dimethyl-2-phenylmethoxyphenyl)-6-ethylindolizine-3-carbaldehyde
SMILESCCc1ccc2cc(-c3cc(C)c(C)cc3OCc3ccccc3)c(C=O)n2c1
InChIInChI=1S/C26H25NO2/c1-4-20-10-11-22-14-23(25(16-28)27(22)15-20)24-12-18(2)19(3)13-26(24)29-17-21-8-6-5-7-9-21/h5-16H,4,17H2,1-3H3
InChIKeySSVOTCCDSSUDEU-UHFFFAOYSA-N
XLogP6.18
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.49
LogP ≤ 56.18
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-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
6-methyl-2-(2-phenylmethoxyphenyl)indolizine-3-carbaldehyde
CID 4254020
6-methyl-2-(5-nitro-2-phenylmethoxyphenyl)indolizine-3-carbaldehyde
CID 3580229
2-(2,4-diethoxynaphthalen-1-yl)-6-ethylindolizine-3-carbaldehyde
CID 3750994
6-ethyl-2-(4-methoxy-3,5-dimethylphenyl)indolizine-3-carbaldehyde
CID 4314891
2-(2-chloro-4-phenylmethoxyphenyl)-6-methylindolizine-3-carbaldehyde
CID 3768447
2-(1,2-dihydroacenaphthylen-5-yl)-6-ethylindolizine-3-carbaldehyde
CID 3750993
2-(2-phenylmethoxy-5-propan-2-ylphenyl)indolizine-3-carbaldehyde
CID 3828303
ethyl 2-(4,5-dimethyl-2-phenylmethoxyphenyl)-3-formylindolizine-1-carboxylate
CID 3559256
2-(3,5-ditert-butyl-4-ethoxyphenyl)-6-ethylindolizine-3-carbaldehyde
CID 3773979

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethyl-2-phenylmethoxyphenyl)-6-ethylindolizine-3-carbaldehyde?
The IUPAC name of 2-(4,5-dimethyl-2-phenylmethoxyphenyl)-6-ethylindolizine-3-carbaldehyde (CID 3819347) is 2-(4,5-dimethyl-2-phenylmethoxyphenyl)-6-ethylindolizine-3-carbaldehyde.
What is the SMILES notation for 2-(4,5-dimethyl-2-phenylmethoxyphenyl)-6-ethylindolizine-3-carbaldehyde?
The canonical SMILES for 2-(4,5-dimethyl-2-phenylmethoxyphenyl)-6-ethylindolizine-3-carbaldehyde is CCc1ccc2cc(-c3cc(C)c(C)cc3OCc3ccccc3)c(C=O)n2c1.
What is the InChIKey of 2-(4,5-dimethyl-2-phenylmethoxyphenyl)-6-ethylindolizine-3-carbaldehyde?
The InChIKey is SSVOTCCDSSUDEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25NO2/c1-4-20-10-11-22-14-23(25(16-28)27(22)15-20)24-12-18(2)19(3)13-26(24)29-17-21-8-6-5-7-9-21/h5-16H,4,17H2,1-3H3.
What are the key properties of 2-(4,5-dimethyl-2-phenylmethoxyphenyl)-6-ethylindolizine-3-carbaldehyde?
2-(4,5-dimethyl-2-phenylmethoxyphenyl)-6-ethylindolizine-3-carbaldehyde has a molecular weight of 383.49 g/mol, XLogP of 6.18, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethyl-2-phenylmethoxyphenyl)-6-ethylindolizine-3-carbaldehyde is sourced from PubChem (CID 3819347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).