2-(4-ethoxy-2-methylphenyl)indolizine-1-carboxylic acid

C18H17NO3 — CID 3282928

IUPAC2-(4-ethoxy-2-methylphenyl)indolizine-1-carboxylic acid
SMILESCCOc1ccc(-c2cn3ccccc3c2C(=O)O)c(C)c1
InChIInChI=1S/C18H17NO3/c1-3-22-13-7-8-14(12(2)10-13)15-11-19-9-5-4-6-16(19)17(15)18(20)21/h4-11H,3H2,1-2H3,(H,20,21)
InChIKeyNCBBYDFWIJLYCG-UHFFFAOYSA-N
MW295.34 g/mol
LogP4.01
Rot. Bonds4

About 2-(4-ethoxy-2-methylphenyl)indolizine-1-carboxylic acid

2-(4-ethoxy-2-methylphenyl)indolizine-1-carboxylic acid (PubChem CID 3282928) has the molecular formula C18H17NO3 and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-(4-ethoxy-2-methylphenyl)indolizine-1-carboxylic acid.

Molecular Properties

Compound Name2-(4-ethoxy-2-methylphenyl)indolizine-1-carboxylic acid
PubChem CID3282928
Molecular FormulaC18H17NO3
Molecular Weight295.34 g/mol
Exact Mass295.12
IUPAC Name2-(4-ethoxy-2-methylphenyl)indolizine-1-carboxylic acid
SMILESCCOc1ccc(-c2cn3ccccc3c2C(=O)O)c(C)c1
InChIInChI=1S/C18H17NO3/c1-3-22-13-7-8-14(12(2)10-13)15-11-19-9-5-4-6-16(19)17(15)18(20)21/h4-11H,3H2,1-2H3,(H,20,21)
InChIKeyNCBBYDFWIJLYCG-UHFFFAOYSA-N
XLogP4.01
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-ethoxy-4,5-dimethylphenyl)indolizine-1-carboxylic acid
CID 5033958
2-(4-tert-butyl-2,5-diethoxyphenyl)indolizine-1-carboxylic acid
CID 3336525
2-(2-methoxy-3,5-dimethylphenyl)indolizine-1-carboxylic acid
CID 3657033
2-(4-methoxy-2,3,5-trimethylphenyl)indolizine-1-carboxylic acid
CID 4006368
ethyl 2-(4-ethoxy-2-methylphenyl)-3-formylindolizine-1-carboxylate
CID 3830704
2-(2-benzylsulfanyl-5-methylphenyl)indolizine-1-carboxylic acid
CID 5137165
2-(3-butan-2-yl-4-methoxyphenyl)indolizine-1-carboxylic acid
CID 4222676
2-(5-tert-butyl-2-methoxyphenyl)indolizine-1-carboxylic acid
CID 3637205
2-(2-chloro-4-ethoxyphenyl)-6-methylbenzoic acid
CID 53228137
2-[6-(4-ethoxy-2-methylphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid
CID 4017525
6-(4-ethoxy-2-methylphenyl)pyridine-3-carboxylic acid
CID 53223705
ethyl 2-(4-bromophenyl)indolizine-1-carboxylate
CID 2763725

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxy-2-methylphenyl)indolizine-1-carboxylic acid?
The IUPAC name of 2-(4-ethoxy-2-methylphenyl)indolizine-1-carboxylic acid (CID 3282928) is 2-(4-ethoxy-2-methylphenyl)indolizine-1-carboxylic acid.
What is the SMILES notation for 2-(4-ethoxy-2-methylphenyl)indolizine-1-carboxylic acid?
The canonical SMILES for 2-(4-ethoxy-2-methylphenyl)indolizine-1-carboxylic acid is CCOc1ccc(-c2cn3ccccc3c2C(=O)O)c(C)c1.
What is the InChIKey of 2-(4-ethoxy-2-methylphenyl)indolizine-1-carboxylic acid?
The InChIKey is NCBBYDFWIJLYCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3/c1-3-22-13-7-8-14(12(2)10-13)15-11-19-9-5-4-6-16(19)17(15)18(20)21/h4-11H,3H2,1-2H3,(H,20,21).
What are the key properties of 2-(4-ethoxy-2-methylphenyl)indolizine-1-carboxylic acid?
2-(4-ethoxy-2-methylphenyl)indolizine-1-carboxylic acid has a molecular weight of 295.34 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxy-2-methylphenyl)indolizine-1-carboxylic acid is sourced from PubChem (CID 3282928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).