2-(5-tert-butyl-2-methoxyphenyl)indolizine-1-carboxylic acid

C20H21NO3 — CID 3637205

IUPAC2-(5-tert-butyl-2-methoxyphenyl)indolizine-1-carboxylic acid
SMILESCOc1ccc(C(C)(C)C)cc1-c1cn2ccccc2c1C(=O)O
InChIInChI=1S/C20H21NO3/c1-20(2,3)13-8-9-17(24-4)14(11-13)15-12-21-10-6-5-7-16(21)18(15)19(22)23/h5-12H,1-4H3,(H,22,23)
InChIKeyDFTKNDYMGZGJHX-UHFFFAOYSA-N
MW323.39 g/mol
LogP4.61
Rot. Bonds3

About 2-(5-tert-butyl-2-methoxyphenyl)indolizine-1-carboxylic acid

2-(5-tert-butyl-2-methoxyphenyl)indolizine-1-carboxylic acid (PubChem CID 3637205) has the molecular formula C20H21NO3 and a molecular weight of 323.39 g/mol. Its IUPAC name is 2-(5-tert-butyl-2-methoxyphenyl)indolizine-1-carboxylic acid.

Molecular Properties

Compound Name2-(5-tert-butyl-2-methoxyphenyl)indolizine-1-carboxylic acid
PubChem CID3637205
Molecular FormulaC20H21NO3
Molecular Weight323.39 g/mol
Exact Mass323.15
IUPAC Name2-(5-tert-butyl-2-methoxyphenyl)indolizine-1-carboxylic acid
SMILESCOc1ccc(C(C)(C)C)cc1-c1cn2ccccc2c1C(=O)O
InChIInChI=1S/C20H21NO3/c1-20(2,3)13-8-9-17(24-4)14(11-13)15-12-21-10-6-5-7-16(21)18(15)19(22)23/h5-12H,1-4H3,(H,22,23)
InChIKeyDFTKNDYMGZGJHX-UHFFFAOYSA-N
XLogP4.61
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloro-4-methoxyphenyl)indolizine-1-carboxylic acid
CID 4307443
2-(2-ethoxy-4,5-dimethylphenyl)indolizine-1-carboxylic acid
CID 5033958
2-(3-bromo-4-methoxyphenyl)indolizine-1-carboxylic acid
CID 3360201
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-(3-butan-2-yl-4-methoxyphenyl)indolizine-1-carboxylic acid
CID 4222676
2-(3-methyl-4-phenylmethoxyphenyl)indolizine-1-carboxylic acid
CID 4518070
2-thiophen-2-ylindolizine-1-carboxylic acid
CID 3992519
5-(5-tert-butyl-2-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 93189808
2-methoxy-6-(2-methoxyphenyl)benzoic acid
CID 22380946
3-(5-tert-butyl-2-methoxyphenyl)-1-[3-(5-tert-butyl-2-methoxyphenyl)-2-hydroxynaphthalen-1-yl]naphthalen-2-ol
CID 11342498
1-[4-(5-tert-butyl-2-methoxybenzoyl)piperazin-1-yl]ethanone
CID 110761321

Frequently Asked Questions

What is the IUPAC name of 2-(5-tert-butyl-2-methoxyphenyl)indolizine-1-carboxylic acid?
The IUPAC name of 2-(5-tert-butyl-2-methoxyphenyl)indolizine-1-carboxylic acid (CID 3637205) is 2-(5-tert-butyl-2-methoxyphenyl)indolizine-1-carboxylic acid.
What is the SMILES notation for 2-(5-tert-butyl-2-methoxyphenyl)indolizine-1-carboxylic acid?
The canonical SMILES for 2-(5-tert-butyl-2-methoxyphenyl)indolizine-1-carboxylic acid is COc1ccc(C(C)(C)C)cc1-c1cn2ccccc2c1C(=O)O.
What is the InChIKey of 2-(5-tert-butyl-2-methoxyphenyl)indolizine-1-carboxylic acid?
The InChIKey is DFTKNDYMGZGJHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO3/c1-20(2,3)13-8-9-17(24-4)14(11-13)15-12-21-10-6-5-7-16(21)18(15)19(22)23/h5-12H,1-4H3,(H,22,23).
What are the key properties of 2-(5-tert-butyl-2-methoxyphenyl)indolizine-1-carboxylic acid?
2-(5-tert-butyl-2-methoxyphenyl)indolizine-1-carboxylic acid has a molecular weight of 323.39 g/mol, XLogP of 4.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-tert-butyl-2-methoxyphenyl)indolizine-1-carboxylic acid is sourced from PubChem (CID 3637205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).