2-(2-methoxy-3,5-dimethylphenyl)indolizine-1-carboxylic acid

C18H17NO3 — CID 3657033

IUPAC2-(2-methoxy-3,5-dimethylphenyl)indolizine-1-carboxylic acid
SMILESCOc1c(C)cc(C)cc1-c1cn2ccccc2c1C(=O)O
InChIInChI=1S/C18H17NO3/c1-11-8-12(2)17(22-3)13(9-11)14-10-19-7-5-4-6-15(19)16(14)18(20)21/h4-10H,1-3H3,(H,20,21)
InChIKeyAIQOEPBMOYLRBN-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.93
Rot. Bonds3

About 2-(2-methoxy-3,5-dimethylphenyl)indolizine-1-carboxylic acid

2-(2-methoxy-3,5-dimethylphenyl)indolizine-1-carboxylic acid (PubChem CID 3657033) has the molecular formula C18H17NO3 and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-(2-methoxy-3,5-dimethylphenyl)indolizine-1-carboxylic acid.

Molecular Properties

Compound Name2-(2-methoxy-3,5-dimethylphenyl)indolizine-1-carboxylic acid
PubChem CID3657033
Molecular FormulaC18H17NO3
Molecular Weight295.34 g/mol
Exact Mass295.12
IUPAC Name2-(2-methoxy-3,5-dimethylphenyl)indolizine-1-carboxylic acid
SMILESCOc1c(C)cc(C)cc1-c1cn2ccccc2c1C(=O)O
InChIInChI=1S/C18H17NO3/c1-11-8-12(2)17(22-3)13(9-11)14-10-19-7-5-4-6-15(19)16(14)18(20)21/h4-10H,1-3H3,(H,20,21)
InChIKeyAIQOEPBMOYLRBN-UHFFFAOYSA-N
XLogP3.93
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2-methoxy-3,5-dimethylphenyl)indolizine-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-methoxy-2,3,5-trimethylphenyl)indolizine-1-carboxylic acid
CID 4006368
2-(5-tert-butyl-2-methoxyphenyl)indolizine-1-carboxylic acid
CID 3637205
2-(2-ethoxy-4,5-dimethylphenyl)indolizine-1-carboxylic acid
CID 5033958
2-(4-ethoxy-2-methylphenyl)indolizine-1-carboxylic acid
CID 3282928
2-(2-benzylsulfanyl-5-methylphenyl)indolizine-1-carboxylic acid
CID 5137165
2-(3-chloro-4-methoxyphenyl)indolizine-1-carboxylic acid
CID 4307443
2-(3-bromo-4-methoxyphenyl)indolizine-1-carboxylic acid
CID 3360201
2-(3-methyl-4-phenylmethoxyphenyl)indolizine-1-carboxylic acid
CID 4518070
2-(3-butan-2-yl-4-methoxyphenyl)indolizine-1-carboxylic acid
CID 4222676
2-(4-tert-butyl-2,5-diethoxyphenyl)indolizine-1-carboxylic acid
CID 3336525
2-thiophen-2-ylindolizine-1-carboxylic acid
CID 3992519
5-(2-methoxy-3,5-dimethylphenyl)-1-phenylpyrazole-3-carboxylic acid
CID 94962309

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-3,5-dimethylphenyl)indolizine-1-carboxylic acid?
The IUPAC name of 2-(2-methoxy-3,5-dimethylphenyl)indolizine-1-carboxylic acid (CID 3657033) is 2-(2-methoxy-3,5-dimethylphenyl)indolizine-1-carboxylic acid.
What is the SMILES notation for 2-(2-methoxy-3,5-dimethylphenyl)indolizine-1-carboxylic acid?
The canonical SMILES for 2-(2-methoxy-3,5-dimethylphenyl)indolizine-1-carboxylic acid is COc1c(C)cc(C)cc1-c1cn2ccccc2c1C(=O)O.
What is the InChIKey of 2-(2-methoxy-3,5-dimethylphenyl)indolizine-1-carboxylic acid?
The InChIKey is AIQOEPBMOYLRBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3/c1-11-8-12(2)17(22-3)13(9-11)14-10-19-7-5-4-6-15(19)16(14)18(20)21/h4-10H,1-3H3,(H,20,21).
What are the key properties of 2-(2-methoxy-3,5-dimethylphenyl)indolizine-1-carboxylic acid?
2-(2-methoxy-3,5-dimethylphenyl)indolizine-1-carboxylic acid has a molecular weight of 295.34 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-3,5-dimethylphenyl)indolizine-1-carboxylic acid is sourced from PubChem (CID 3657033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).