2-(2-ethoxy-5-octylphenyl)-6-methylindolizine-3-carbaldehyde

C26H33NO2 — CID 3691811

IUPAC2-(2-ethoxy-5-octylphenyl)-6-methylindolizine-3-carbaldehyde
SMILESCCCCCCCCc1ccc(OCC)c(-c2cc3ccc(C)cn3c2C=O)c1
InChIInChI=1S/C26H33NO2/c1-4-6-7-8-9-10-11-21-13-15-26(29-5-2)24(16-21)23-17-22-14-12-20(3)18-27(22)25(23)19-28/h12-19H,4-11H2,1-3H3
InChIKeyMPEPZUIEISDMJG-UHFFFAOYSA-N
MW391.56 g/mol
LogP7.03
Rot. Bonds11

About 2-(2-ethoxy-5-octylphenyl)-6-methylindolizine-3-carbaldehyde

2-(2-ethoxy-5-octylphenyl)-6-methylindolizine-3-carbaldehyde (PubChem CID 3691811) has the molecular formula C26H33NO2 and a molecular weight of 391.56 g/mol. Its IUPAC name is 2-(2-ethoxy-5-octylphenyl)-6-methylindolizine-3-carbaldehyde.

Molecular Properties

Compound Name2-(2-ethoxy-5-octylphenyl)-6-methylindolizine-3-carbaldehyde
PubChem CID3691811
Molecular FormulaC26H33NO2
Molecular Weight391.56 g/mol
Exact Mass391.25
IUPAC Name2-(2-ethoxy-5-octylphenyl)-6-methylindolizine-3-carbaldehyde
SMILESCCCCCCCCc1ccc(OCC)c(-c2cc3ccc(C)cn3c2C=O)c1
InChIInChI=1S/C26H33NO2/c1-4-6-7-8-9-10-11-21-13-15-26(29-5-2)24(16-21)23-17-22-14-12-20(3)18-27(22)25(23)19-28/h12-19H,4-11H2,1-3H3
InChIKeyMPEPZUIEISDMJG-UHFFFAOYSA-N
XLogP7.03
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.56
LogP ≤ 57.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(5-butan-2-yl-2-ethoxyphenyl)-6-methylindolizine-3-carbaldehyde
CID 3743969
2-(5-ethyl-2-phenylmethoxyphenyl)indolizine-3-carbaldehyde
CID 3760707
2-bromo-1-ethoxy-4-pentylbenzene
CID 171368096
1-methyl-4-octylbenzene
CID 11052746
2-(2-ethoxy-5-propan-2-ylphenyl)-8-methylindolizine-3-carbaldehyde
CID 3590474
6-ethyl-2-pyridin-4-ylindolizine-3-carbaldehyde
CID 3764927
formamide;2-methoxy-1-methyl-4-pentylbenzene
CID 142217487
2-hydroxy-4-pentadecylbenzaldehyde
CID 3270829
2-(4-hexadecyl-2-pyridinyl)-4-methylpyridine
CID 12820693
acetaldehyde;1-methyl-4-(4-pentylphenoxy)benzene
CID 142415124
5-(3-bromo-4-ethoxyphenyl)-N-propylpentan-1-amine
CID 104662920
3-[3-[5-(2-carboxyethyl)-2-heptoxyphenyl]-4-hydroxyphenyl]propanoic acid
CID 54012776

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxy-5-octylphenyl)-6-methylindolizine-3-carbaldehyde?
The IUPAC name of 2-(2-ethoxy-5-octylphenyl)-6-methylindolizine-3-carbaldehyde (CID 3691811) is 2-(2-ethoxy-5-octylphenyl)-6-methylindolizine-3-carbaldehyde.
What is the SMILES notation for 2-(2-ethoxy-5-octylphenyl)-6-methylindolizine-3-carbaldehyde?
The canonical SMILES for 2-(2-ethoxy-5-octylphenyl)-6-methylindolizine-3-carbaldehyde is CCCCCCCCc1ccc(OCC)c(-c2cc3ccc(C)cn3c2C=O)c1.
What is the InChIKey of 2-(2-ethoxy-5-octylphenyl)-6-methylindolizine-3-carbaldehyde?
The InChIKey is MPEPZUIEISDMJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33NO2/c1-4-6-7-8-9-10-11-21-13-15-26(29-5-2)24(16-21)23-17-22-14-12-20(3)18-27(22)25(23)19-28/h12-19H,4-11H2,1-3H3.
What are the key properties of 2-(2-ethoxy-5-octylphenyl)-6-methylindolizine-3-carbaldehyde?
2-(2-ethoxy-5-octylphenyl)-6-methylindolizine-3-carbaldehyde has a molecular weight of 391.56 g/mol, XLogP of 7.03, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxy-5-octylphenyl)-6-methylindolizine-3-carbaldehyde is sourced from PubChem (CID 3691811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).