2-(4-methoxy-3,5-dimethylphenyl)-6-methylindolizine-3-carbaldehyde

C19H19NO2 — CID 3773404

IUPAC2-(4-methoxy-3,5-dimethylphenyl)-6-methylindolizine-3-carbaldehyde
SMILESCOc1c(C)cc(-c2cc3ccc(C)cn3c2C=O)cc1C
InChIInChI=1S/C19H19NO2/c1-12-5-6-16-9-17(18(11-21)20(16)10-12)15-7-13(2)19(22-4)14(3)8-15/h5-11H,1-4H3
InChIKeyBUCWWVUISYWSGR-UHFFFAOYSA-N
MW293.37 g/mol
LogP4.35
Rot. Bonds3

About 2-(4-methoxy-3,5-dimethylphenyl)-6-methylindolizine-3-carbaldehyde

2-(4-methoxy-3,5-dimethylphenyl)-6-methylindolizine-3-carbaldehyde (PubChem CID 3773404) has the molecular formula C19H19NO2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-(4-methoxy-3,5-dimethylphenyl)-6-methylindolizine-3-carbaldehyde.

Molecular Properties

Compound Name2-(4-methoxy-3,5-dimethylphenyl)-6-methylindolizine-3-carbaldehyde
PubChem CID3773404
Molecular FormulaC19H19NO2
Molecular Weight293.37 g/mol
Exact Mass293.14
IUPAC Name2-(4-methoxy-3,5-dimethylphenyl)-6-methylindolizine-3-carbaldehyde
SMILESCOc1c(C)cc(-c2cc3ccc(C)cn3c2C=O)cc1C
InChIInChI=1S/C19H19NO2/c1-12-5-6-16-9-17(18(11-21)20(16)10-12)15-7-13(2)19(22-4)14(3)8-15/h5-11H,1-4H3
InChIKeyBUCWWVUISYWSGR-UHFFFAOYSA-N
XLogP4.35
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 54.35
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-ethyl-2-(4-methoxy-3,5-dimethylphenyl)indolizine-3-carbaldehyde
CID 4314891
2-(2,5-dichloro-4-methoxyphenyl)-6-methylindolizine-3-carbaldehyde
CID 5196502
2-(5-bromo-2-methoxyphenyl)-6-methylindolizine-3-carbaldehyde
CID 3814349
2-(5-tert-butyl-2-methoxyphenyl)-6-methylindolizine-3-carbaldehyde
CID 3696407
2-(4-methoxy-3,5-dimethylphenyl)-4-methylbenzaldehyde
CID 83068040
6-methyl-2-(2-phenylmethoxyphenyl)indolizine-3-carbaldehyde
CID 4254020
2-(2-ethoxy-5-octylphenyl)-6-methylindolizine-3-carbaldehyde
CID 3691811
2-(4-methoxyphenyl)-7-methylindolizine-3-carbaldehyde
CID 3786843
2-(5-butan-2-yl-2-ethoxyphenyl)-6-methylindolizine-3-carbaldehyde
CID 3743969
2-(2-chloro-4-phenylmethoxyphenyl)-6-methylindolizine-3-carbaldehyde
CID 3768447
2-(3,5-ditert-butyl-4-ethoxyphenyl)-6-ethylindolizine-3-carbaldehyde
CID 3773979
6-ethyl-2-(3-methyl-4-phenylmethoxyphenyl)indolizine-3-carbaldehyde
CID 3533161

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-3,5-dimethylphenyl)-6-methylindolizine-3-carbaldehyde?
The IUPAC name of 2-(4-methoxy-3,5-dimethylphenyl)-6-methylindolizine-3-carbaldehyde (CID 3773404) is 2-(4-methoxy-3,5-dimethylphenyl)-6-methylindolizine-3-carbaldehyde.
What is the SMILES notation for 2-(4-methoxy-3,5-dimethylphenyl)-6-methylindolizine-3-carbaldehyde?
The canonical SMILES for 2-(4-methoxy-3,5-dimethylphenyl)-6-methylindolizine-3-carbaldehyde is COc1c(C)cc(-c2cc3ccc(C)cn3c2C=O)cc1C.
What is the InChIKey of 2-(4-methoxy-3,5-dimethylphenyl)-6-methylindolizine-3-carbaldehyde?
The InChIKey is BUCWWVUISYWSGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO2/c1-12-5-6-16-9-17(18(11-21)20(16)10-12)15-7-13(2)19(22-4)14(3)8-15/h5-11H,1-4H3.
What are the key properties of 2-(4-methoxy-3,5-dimethylphenyl)-6-methylindolizine-3-carbaldehyde?
2-(4-methoxy-3,5-dimethylphenyl)-6-methylindolizine-3-carbaldehyde has a molecular weight of 293.37 g/mol, XLogP of 4.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-3,5-dimethylphenyl)-6-methylindolizine-3-carbaldehyde is sourced from PubChem (CID 3773404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).