2-(2-ethoxy-4,5-dimethylphenyl)indolizine-1-carboxylic acid

C19H19NO3 — CID 5033958

IUPAC2-(2-ethoxy-4,5-dimethylphenyl)indolizine-1-carboxylic acid
SMILESCCOc1cc(C)c(C)cc1-c1cn2ccccc2c1C(=O)O
InChIInChI=1S/C19H19NO3/c1-4-23-17-10-13(3)12(2)9-14(17)15-11-20-8-6-5-7-16(20)18(15)19(21)22/h5-11H,4H2,1-3H3,(H,21,22)
InChIKeyGBBUQXBMFHZYBN-UHFFFAOYSA-N
MW309.37 g/mol
LogP4.32
Rot. Bonds4

About 2-(2-ethoxy-4,5-dimethylphenyl)indolizine-1-carboxylic acid

2-(2-ethoxy-4,5-dimethylphenyl)indolizine-1-carboxylic acid (PubChem CID 5033958) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is 2-(2-ethoxy-4,5-dimethylphenyl)indolizine-1-carboxylic acid.

Molecular Properties

Compound Name2-(2-ethoxy-4,5-dimethylphenyl)indolizine-1-carboxylic acid
PubChem CID5033958
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC Name2-(2-ethoxy-4,5-dimethylphenyl)indolizine-1-carboxylic acid
SMILESCCOc1cc(C)c(C)cc1-c1cn2ccccc2c1C(=O)O
InChIInChI=1S/C19H19NO3/c1-4-23-17-10-13(3)12(2)9-14(17)15-11-20-8-6-5-7-16(20)18(15)19(21)22/h5-11H,4H2,1-3H3,(H,21,22)
InChIKeyGBBUQXBMFHZYBN-UHFFFAOYSA-N
XLogP4.32
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-tert-butyl-2,5-diethoxyphenyl)indolizine-1-carboxylic acid
CID 3336525
2-(4-ethoxy-2-methylphenyl)indolizine-1-carboxylic acid
CID 3282928
2-(5-tert-butyl-2-methoxyphenyl)indolizine-1-carboxylic acid
CID 3637205
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-(2-benzylsulfanyl-5-methylphenyl)indolizine-1-carboxylic acid
CID 5137165
2-thiophen-2-ylindolizine-1-carboxylic acid
CID 3992519
ethyl 2-(4,5-dimethyl-2-phenylmethoxyphenyl)-3-formylindolizine-1-carboxylate
CID 3559256
2-ethoxy-4,6-dimethylbenzoic acid
CID 22956565
2-ethoxybenzoic acid;zinc
CID 172723273
2-[4-(4-ethoxy-2,5-dimethylphenyl)imidazol-1-yl]acetic acid
CID 82306962
(4-ethoxy-2,5-dimethylphenyl)-phenylmethanone
CID 82628812

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxy-4,5-dimethylphenyl)indolizine-1-carboxylic acid?
The IUPAC name of 2-(2-ethoxy-4,5-dimethylphenyl)indolizine-1-carboxylic acid (CID 5033958) is 2-(2-ethoxy-4,5-dimethylphenyl)indolizine-1-carboxylic acid.
What is the SMILES notation for 2-(2-ethoxy-4,5-dimethylphenyl)indolizine-1-carboxylic acid?
The canonical SMILES for 2-(2-ethoxy-4,5-dimethylphenyl)indolizine-1-carboxylic acid is CCOc1cc(C)c(C)cc1-c1cn2ccccc2c1C(=O)O.
What is the InChIKey of 2-(2-ethoxy-4,5-dimethylphenyl)indolizine-1-carboxylic acid?
The InChIKey is GBBUQXBMFHZYBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO3/c1-4-23-17-10-13(3)12(2)9-14(17)15-11-20-8-6-5-7-16(20)18(15)19(21)22/h5-11H,4H2,1-3H3,(H,21,22).
What are the key properties of 2-(2-ethoxy-4,5-dimethylphenyl)indolizine-1-carboxylic acid?
2-(2-ethoxy-4,5-dimethylphenyl)indolizine-1-carboxylic acid has a molecular weight of 309.37 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxy-4,5-dimethylphenyl)indolizine-1-carboxylic acid is sourced from PubChem (CID 5033958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).