2-(4-methoxy-2,3,5-trimethylphenyl)indolizine-1-carboxylic acid

C19H19NO3 — CID 4006368

IUPAC2-(4-methoxy-2,3,5-trimethylphenyl)indolizine-1-carboxylic acid
SMILESCOc1c(C)cc(-c2cn3ccccc3c2C(=O)O)c(C)c1C
InChIInChI=1S/C19H19NO3/c1-11-9-14(12(2)13(3)18(11)23-4)15-10-20-8-6-5-7-16(20)17(15)19(21)22/h5-10H,1-4H3,(H,21,22)
InChIKeyLBKVPPLBVHSTBC-UHFFFAOYSA-N
MW309.37 g/mol
LogP4.24
Rot. Bonds3

About 2-(4-methoxy-2,3,5-trimethylphenyl)indolizine-1-carboxylic acid

2-(4-methoxy-2,3,5-trimethylphenyl)indolizine-1-carboxylic acid (PubChem CID 4006368) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is 2-(4-methoxy-2,3,5-trimethylphenyl)indolizine-1-carboxylic acid.

Molecular Properties

Compound Name2-(4-methoxy-2,3,5-trimethylphenyl)indolizine-1-carboxylic acid
PubChem CID4006368
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC Name2-(4-methoxy-2,3,5-trimethylphenyl)indolizine-1-carboxylic acid
SMILESCOc1c(C)cc(-c2cn3ccccc3c2C(=O)O)c(C)c1C
InChIInChI=1S/C19H19NO3/c1-11-9-14(12(2)13(3)18(11)23-4)15-10-20-8-6-5-7-16(20)17(15)19(21)22/h5-10H,1-4H3,(H,21,22)
InChIKeyLBKVPPLBVHSTBC-UHFFFAOYSA-N
XLogP4.24
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methoxy-3,5-dimethylphenyl)indolizine-1-carboxylic acid
CID 3657033
2-(2-ethoxy-4,5-dimethylphenyl)indolizine-1-carboxylic acid
CID 5033958
2-(5-tert-butyl-2-methoxyphenyl)indolizine-1-carboxylic acid
CID 3637205
2-(4-ethoxy-2-methylphenyl)indolizine-1-carboxylic acid
CID 3282928
[4-(4-methoxy-2,3,5-trimethylphenyl)-2,3,6-trimethylphenyl] benzoate
CID 58805684
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-(4-tert-butyl-2,5-diethoxyphenyl)indolizine-1-carboxylic acid
CID 3336525
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-methoxy-5,6-dimethyl-3-phenylbenzoic acid
CID 175512460

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-2,3,5-trimethylphenyl)indolizine-1-carboxylic acid?
The IUPAC name of 2-(4-methoxy-2,3,5-trimethylphenyl)indolizine-1-carboxylic acid (CID 4006368) is 2-(4-methoxy-2,3,5-trimethylphenyl)indolizine-1-carboxylic acid.
What is the SMILES notation for 2-(4-methoxy-2,3,5-trimethylphenyl)indolizine-1-carboxylic acid?
The canonical SMILES for 2-(4-methoxy-2,3,5-trimethylphenyl)indolizine-1-carboxylic acid is COc1c(C)cc(-c2cn3ccccc3c2C(=O)O)c(C)c1C.
What is the InChIKey of 2-(4-methoxy-2,3,5-trimethylphenyl)indolizine-1-carboxylic acid?
The InChIKey is LBKVPPLBVHSTBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO3/c1-11-9-14(12(2)13(3)18(11)23-4)15-10-20-8-6-5-7-16(20)17(15)19(21)22/h5-10H,1-4H3,(H,21,22).
What are the key properties of 2-(4-methoxy-2,3,5-trimethylphenyl)indolizine-1-carboxylic acid?
2-(4-methoxy-2,3,5-trimethylphenyl)indolizine-1-carboxylic acid has a molecular weight of 309.37 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-2,3,5-trimethylphenyl)indolizine-1-carboxylic acid is sourced from PubChem (CID 4006368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).