2-(3-chloro-4-phenylmethoxyphenyl)-8-methylindolizine-3-carbaldehyde

C23H18ClNO2 — CID 3697340

IUPAC2-(3-chloro-4-phenylmethoxyphenyl)-8-methylindolizine-3-carbaldehyde
SMILESCc1cccn2c(C=O)c(-c3ccc(OCc4ccccc4)c(Cl)c3)cc12
InChIInChI=1S/C23H18ClNO2/c1-16-6-5-11-25-21(16)13-19(22(25)14-26)18-9-10-23(20(24)12-18)27-15-17-7-3-2-4-8-17/h2-14H,15H2,1H3
InChIKeyXNIWCOKWRLTFHX-UHFFFAOYSA-N
MW375.86 g/mol
LogP5.96
Rot. Bonds5

About 2-(3-chloro-4-phenylmethoxyphenyl)-8-methylindolizine-3-carbaldehyde

2-(3-chloro-4-phenylmethoxyphenyl)-8-methylindolizine-3-carbaldehyde (PubChem CID 3697340) has the molecular formula C23H18ClNO2 and a molecular weight of 375.86 g/mol. Its IUPAC name is 2-(3-chloro-4-phenylmethoxyphenyl)-8-methylindolizine-3-carbaldehyde.

Molecular Properties

Compound Name2-(3-chloro-4-phenylmethoxyphenyl)-8-methylindolizine-3-carbaldehyde
PubChem CID3697340
Molecular FormulaC23H18ClNO2
Molecular Weight375.86 g/mol
Exact Mass375.10
IUPAC Name2-(3-chloro-4-phenylmethoxyphenyl)-8-methylindolizine-3-carbaldehyde
SMILESCc1cccn2c(C=O)c(-c3ccc(OCc4ccccc4)c(Cl)c3)cc12
InChIInChI=1S/C23H18ClNO2/c1-16-6-5-11-25-21(16)13-19(22(25)14-26)18-9-10-23(20(24)12-18)27-15-17-7-3-2-4-8-17/h2-14H,15H2,1H3
InChIKeyXNIWCOKWRLTFHX-UHFFFAOYSA-N
XLogP5.96
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.86
LogP ≤ 55.96
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-(3,5-dimethyl-4-phenylmethoxyphenyl)-8-methylindolizine-3-carbaldehyde
CID 3796993
2-(5-butan-2-yl-2-phenylmethoxyphenyl)-8-methylindolizine-3-carbaldehyde
CID 3719157
8-methyl-2-(4-phenylphenyl)indolizine-3-carbaldehyde
CID 3837530
2-(4-chlorophenyl)-8-methylindolizine-3-carbaldehyde
CID 3403096
2-(3-butan-2-yl-4-ethoxyphenyl)-8-methylindolizine-3-carbaldehyde
CID 5195486
2-(4-fluorophenyl)-8-methylindolizine-3-carbaldehyde
CID 3552647
2-(3-tert-butyl-4-phenylmethoxyphenyl)indolizine-3-carbaldehyde
CID 3817177
6-ethyl-2-(3-methyl-4-phenylmethoxyphenyl)indolizine-3-carbaldehyde
CID 3533161
2-(4-tert-butylphenyl)-8-methylindolizine-3-carbaldehyde
CID 3836029
2-(2-benzylsulfanyl-5-chlorophenyl)-8-methylindolizine-3-carbaldehyde
CID 3734049
7-methyl-2-(3-nitro-4-phenylmethoxyphenyl)indolizine-3-carbaldehyde
CID 3837589
2-(3-chloro-4-phenylmethoxyphenyl)aniline
CID 145161607

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-phenylmethoxyphenyl)-8-methylindolizine-3-carbaldehyde?
The IUPAC name of 2-(3-chloro-4-phenylmethoxyphenyl)-8-methylindolizine-3-carbaldehyde (CID 3697340) is 2-(3-chloro-4-phenylmethoxyphenyl)-8-methylindolizine-3-carbaldehyde.
What is the SMILES notation for 2-(3-chloro-4-phenylmethoxyphenyl)-8-methylindolizine-3-carbaldehyde?
The canonical SMILES for 2-(3-chloro-4-phenylmethoxyphenyl)-8-methylindolizine-3-carbaldehyde is Cc1cccn2c(C=O)c(-c3ccc(OCc4ccccc4)c(Cl)c3)cc12.
What is the InChIKey of 2-(3-chloro-4-phenylmethoxyphenyl)-8-methylindolizine-3-carbaldehyde?
The InChIKey is XNIWCOKWRLTFHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClNO2/c1-16-6-5-11-25-21(16)13-19(22(25)14-26)18-9-10-23(20(24)12-18)27-15-17-7-3-2-4-8-17/h2-14H,15H2,1H3.
What are the key properties of 2-(3-chloro-4-phenylmethoxyphenyl)-8-methylindolizine-3-carbaldehyde?
2-(3-chloro-4-phenylmethoxyphenyl)-8-methylindolizine-3-carbaldehyde has a molecular weight of 375.86 g/mol, XLogP of 5.96, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-phenylmethoxyphenyl)-8-methylindolizine-3-carbaldehyde is sourced from PubChem (CID 3697340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).