2-(5-chloro-4-methyl-2-phenylmethoxyphenyl)-6-ethylindolizine-3-carbaldehyde

C25H22ClNO2 — CID 3652489

IUPAC2-(5-chloro-4-methyl-2-phenylmethoxyphenyl)-6-ethylindolizine-3-carbaldehyde
SMILESCCc1ccc2cc(-c3cc(Cl)c(C)cc3OCc3ccccc3)c(C=O)n2c1
InChIInChI=1S/C25H22ClNO2/c1-3-18-9-10-20-12-21(24(15-28)27(20)14-18)22-13-23(26)17(2)11-25(22)29-16-19-7-5-4-6-8-19/h4-15H,3,16H2,1-2H3
InChIKeyRDWIVPYJRQRWNZ-UHFFFAOYSA-N
MW403.91 g/mol
LogP6.52
Rot. Bonds6

About 2-(5-chloro-4-methyl-2-phenylmethoxyphenyl)-6-ethylindolizine-3-carbaldehyde

2-(5-chloro-4-methyl-2-phenylmethoxyphenyl)-6-ethylindolizine-3-carbaldehyde (PubChem CID 3652489) has the molecular formula C25H22ClNO2 and a molecular weight of 403.91 g/mol. Its IUPAC name is 2-(5-chloro-4-methyl-2-phenylmethoxyphenyl)-6-ethylindolizine-3-carbaldehyde.

Molecular Properties

Compound Name2-(5-chloro-4-methyl-2-phenylmethoxyphenyl)-6-ethylindolizine-3-carbaldehyde
PubChem CID3652489
Molecular FormulaC25H22ClNO2
Molecular Weight403.91 g/mol
Exact Mass403.13
IUPAC Name2-(5-chloro-4-methyl-2-phenylmethoxyphenyl)-6-ethylindolizine-3-carbaldehyde
SMILESCCc1ccc2cc(-c3cc(Cl)c(C)cc3OCc3ccccc3)c(C=O)n2c1
InChIInChI=1S/C25H22ClNO2/c1-3-18-9-10-20-12-21(24(15-28)27(20)14-18)22-13-23(26)17(2)11-25(22)29-16-19-7-5-4-6-8-19/h4-15H,3,16H2,1-2H3
InChIKeyRDWIVPYJRQRWNZ-UHFFFAOYSA-N
XLogP6.52
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.91
LogP ≤ 56.52
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-(4,5-dimethyl-2-phenylmethoxyphenyl)-6-ethylindolizine-3-carbaldehyde
CID 3819347
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
2-(2-chloro-4-phenylmethoxyphenyl)-6-methylindolizine-3-carbaldehyde
CID 3768447
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-phenylmethoxy-5-propan-2-ylphenyl)indolizine-3-carbaldehyde
CID 3828303
2-(3-chloro-4-phenylmethoxyphenyl)-8-methylindolizine-3-carbaldehyde
CID 3697340
6-ethyl-2-pyridin-4-ylindolizine-3-carbaldehyde
CID 3764927
6-ethyl-2-(4-methoxy-3-propan-2-ylphenyl)indolizine-3-carbaldehyde
CID 3696408

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-4-methyl-2-phenylmethoxyphenyl)-6-ethylindolizine-3-carbaldehyde?
The IUPAC name of 2-(5-chloro-4-methyl-2-phenylmethoxyphenyl)-6-ethylindolizine-3-carbaldehyde (CID 3652489) is 2-(5-chloro-4-methyl-2-phenylmethoxyphenyl)-6-ethylindolizine-3-carbaldehyde.
What is the SMILES notation for 2-(5-chloro-4-methyl-2-phenylmethoxyphenyl)-6-ethylindolizine-3-carbaldehyde?
The canonical SMILES for 2-(5-chloro-4-methyl-2-phenylmethoxyphenyl)-6-ethylindolizine-3-carbaldehyde is CCc1ccc2cc(-c3cc(Cl)c(C)cc3OCc3ccccc3)c(C=O)n2c1.
What is the InChIKey of 2-(5-chloro-4-methyl-2-phenylmethoxyphenyl)-6-ethylindolizine-3-carbaldehyde?
The InChIKey is RDWIVPYJRQRWNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClNO2/c1-3-18-9-10-20-12-21(24(15-28)27(20)14-18)22-13-23(26)17(2)11-25(22)29-16-19-7-5-4-6-8-19/h4-15H,3,16H2,1-2H3.
What are the key properties of 2-(5-chloro-4-methyl-2-phenylmethoxyphenyl)-6-ethylindolizine-3-carbaldehyde?
2-(5-chloro-4-methyl-2-phenylmethoxyphenyl)-6-ethylindolizine-3-carbaldehyde has a molecular weight of 403.91 g/mol, XLogP of 6.52, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-4-methyl-2-phenylmethoxyphenyl)-6-ethylindolizine-3-carbaldehyde is sourced from PubChem (CID 3652489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).