2-(3-methyl-4-phenylmethoxyphenyl)indolizine-1-carboxylic acid

C23H19NO3 — CID 4518070

IUPAC2-(3-methyl-4-phenylmethoxyphenyl)indolizine-1-carboxylic acid
SMILESCc1cc(-c2cn3ccccc3c2C(=O)O)ccc1OCc1ccccc1
InChIInChI=1S/C23H19NO3/c1-16-13-18(10-11-21(16)27-15-17-7-3-2-4-8-17)19-14-24-12-6-5-9-20(24)22(19)23(25)26/h2-14H,15H2,1H3,(H,25,26)
InChIKeyVGFWASCLXOEHPF-UHFFFAOYSA-N
MW357.41 g/mol
LogP5.19
Rot. Bonds5

About 2-(3-methyl-4-phenylmethoxyphenyl)indolizine-1-carboxylic acid

2-(3-methyl-4-phenylmethoxyphenyl)indolizine-1-carboxylic acid (PubChem CID 4518070) has the molecular formula C23H19NO3 and a molecular weight of 357.41 g/mol. Its IUPAC name is 2-(3-methyl-4-phenylmethoxyphenyl)indolizine-1-carboxylic acid.

Molecular Properties

Compound Name2-(3-methyl-4-phenylmethoxyphenyl)indolizine-1-carboxylic acid
PubChem CID4518070
Molecular FormulaC23H19NO3
Molecular Weight357.41 g/mol
Exact Mass357.14
IUPAC Name2-(3-methyl-4-phenylmethoxyphenyl)indolizine-1-carboxylic acid
SMILESCc1cc(-c2cn3ccccc3c2C(=O)O)ccc1OCc1ccccc1
InChIInChI=1S/C23H19NO3/c1-16-13-18(10-11-21(16)27-15-17-7-3-2-4-8-17)19-14-24-12-6-5-9-20(24)22(19)23(25)26/h2-14H,15H2,1H3,(H,25,26)
InChIKeyVGFWASCLXOEHPF-UHFFFAOYSA-N
XLogP5.19
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.41
LogP ≤ 55.19
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-butan-2-yl-4-methoxyphenyl)indolizine-1-carboxylic acid
CID 4222676
2-(4-ethoxy-2-methylphenyl)indolizine-1-carboxylic acid
CID 3282928
3-methyl-4-phenylmethoxybenzoic acid
CID 53471145
2-methyl-4-(4-methylphenyl)-1-phenylmethoxybenzene
CID 142190093
2-(2-methoxy-3,5-dimethylphenyl)indolizine-1-carboxylic acid
CID 3657033
2-(5-tert-butyl-2-methoxyphenyl)indolizine-1-carboxylic acid
CID 3637205
methanol;2-phenylmethoxybicyclo[3.1.0]hexa-1,3,5-triene
CID 174530188
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-fluoro-6-methyl-3-phenylmethoxybenzoic acid
CID 67053712

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-4-phenylmethoxyphenyl)indolizine-1-carboxylic acid?
The IUPAC name of 2-(3-methyl-4-phenylmethoxyphenyl)indolizine-1-carboxylic acid (CID 4518070) is 2-(3-methyl-4-phenylmethoxyphenyl)indolizine-1-carboxylic acid.
What is the SMILES notation for 2-(3-methyl-4-phenylmethoxyphenyl)indolizine-1-carboxylic acid?
The canonical SMILES for 2-(3-methyl-4-phenylmethoxyphenyl)indolizine-1-carboxylic acid is Cc1cc(-c2cn3ccccc3c2C(=O)O)ccc1OCc1ccccc1.
What is the InChIKey of 2-(3-methyl-4-phenylmethoxyphenyl)indolizine-1-carboxylic acid?
The InChIKey is VGFWASCLXOEHPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO3/c1-16-13-18(10-11-21(16)27-15-17-7-3-2-4-8-17)19-14-24-12-6-5-9-20(24)22(19)23(25)26/h2-14H,15H2,1H3,(H,25,26).
What are the key properties of 2-(3-methyl-4-phenylmethoxyphenyl)indolizine-1-carboxylic acid?
2-(3-methyl-4-phenylmethoxyphenyl)indolizine-1-carboxylic acid has a molecular weight of 357.41 g/mol, XLogP of 5.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-4-phenylmethoxyphenyl)indolizine-1-carboxylic acid is sourced from PubChem (CID 4518070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).