2-(2-chloro-4-phenylmethoxyphenyl)-6-methylindolizine-3-carbaldehyde

C23H18ClNO2 — CID 3768447

IUPAC2-(2-chloro-4-phenylmethoxyphenyl)-6-methylindolizine-3-carbaldehyde
SMILESCc1ccc2cc(-c3ccc(OCc4ccccc4)cc3Cl)c(C=O)n2c1
InChIInChI=1S/C23H18ClNO2/c1-16-7-8-18-11-21(23(14-26)25(18)13-16)20-10-9-19(12-22(20)24)27-15-17-5-3-2-4-6-17/h2-14H,15H2,1H3
InChIKeyNCDICXYPRDTOKF-UHFFFAOYSA-N
MW375.86 g/mol
LogP5.96
Rot. Bonds5

About 2-(2-chloro-4-phenylmethoxyphenyl)-6-methylindolizine-3-carbaldehyde

2-(2-chloro-4-phenylmethoxyphenyl)-6-methylindolizine-3-carbaldehyde (PubChem CID 3768447) has the molecular formula C23H18ClNO2 and a molecular weight of 375.86 g/mol. Its IUPAC name is 2-(2-chloro-4-phenylmethoxyphenyl)-6-methylindolizine-3-carbaldehyde.

Molecular Properties

Compound Name2-(2-chloro-4-phenylmethoxyphenyl)-6-methylindolizine-3-carbaldehyde
PubChem CID3768447
Molecular FormulaC23H18ClNO2
Molecular Weight375.86 g/mol
Exact Mass375.10
IUPAC Name2-(2-chloro-4-phenylmethoxyphenyl)-6-methylindolizine-3-carbaldehyde
SMILESCc1ccc2cc(-c3ccc(OCc4ccccc4)cc3Cl)c(C=O)n2c1
InChIInChI=1S/C23H18ClNO2/c1-16-7-8-18-11-21(23(14-26)25(18)13-16)20-10-9-19(12-22(20)24)27-15-17-5-3-2-4-6-17/h2-14H,15H2,1H3
InChIKeyNCDICXYPRDTOKF-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

6-methyl-2-(2-phenylmethoxyphenyl)indolizine-3-carbaldehyde
CID 4254020
6-methyl-2-(5-nitro-2-phenylmethoxyphenyl)indolizine-3-carbaldehyde
CID 3580229
2-(5-chloro-4-methyl-2-phenylmethoxyphenyl)-6-ethylindolizine-3-carbaldehyde
CID 3652489
2-(2,5-dichloro-4-methoxyphenyl)-6-methylindolizine-3-carbaldehyde
CID 5196502
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
2-(2-chloro-4-phenylmethoxyphenyl)acetic acid
CID 4241746
2-(2-ethoxy-5-octylphenyl)-6-methylindolizine-3-carbaldehyde
CID 3691811
2-(5-butan-2-yl-2-ethoxyphenyl)-6-methylindolizine-3-carbaldehyde
CID 3743969
2-(2-phenylmethoxy-5-propan-2-ylphenyl)indolizine-3-carbaldehyde
CID 3828303
2-methyl-6-phenylmethoxyindolizine-3-carboxylic acid
CID 170347171

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-phenylmethoxyphenyl)-6-methylindolizine-3-carbaldehyde?
The IUPAC name of 2-(2-chloro-4-phenylmethoxyphenyl)-6-methylindolizine-3-carbaldehyde (CID 3768447) is 2-(2-chloro-4-phenylmethoxyphenyl)-6-methylindolizine-3-carbaldehyde.
What is the SMILES notation for 2-(2-chloro-4-phenylmethoxyphenyl)-6-methylindolizine-3-carbaldehyde?
The canonical SMILES for 2-(2-chloro-4-phenylmethoxyphenyl)-6-methylindolizine-3-carbaldehyde is Cc1ccc2cc(-c3ccc(OCc4ccccc4)cc3Cl)c(C=O)n2c1.
What is the InChIKey of 2-(2-chloro-4-phenylmethoxyphenyl)-6-methylindolizine-3-carbaldehyde?
The InChIKey is NCDICXYPRDTOKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClNO2/c1-16-7-8-18-11-21(23(14-26)25(18)13-16)20-10-9-19(12-22(20)24)27-15-17-5-3-2-4-6-17/h2-14H,15H2,1H3.
What are the key properties of 2-(2-chloro-4-phenylmethoxyphenyl)-6-methylindolizine-3-carbaldehyde?
2-(2-chloro-4-phenylmethoxyphenyl)-6-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-(2-chloro-4-phenylmethoxyphenyl)-6-methylindolizine-3-carbaldehyde is sourced from PubChem (CID 3768447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).