2-methyl-6-phenylmethoxyindolizine-3-carboxylic acid

C17H15NO3 — CID 170347171

IUPAC2-methyl-6-phenylmethoxyindolizine-3-carboxylic acid
SMILESCc1cc2ccc(OCc3ccccc3)cn2c1C(=O)O
InChIInChI=1S/C17H15NO3/c1-12-9-14-7-8-15(10-18(14)16(12)17(19)20)21-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,19,20)
InChIKeyLBXGWMXALPANMS-UHFFFAOYSA-N
MW281.31 g/mol
LogP3.52
Rot. Bonds4

About 2-methyl-6-phenylmethoxyindolizine-3-carboxylic acid

2-methyl-6-phenylmethoxyindolizine-3-carboxylic acid (PubChem CID 170347171) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-methyl-6-phenylmethoxyindolizine-3-carboxylic acid.

Molecular Properties

Compound Name2-methyl-6-phenylmethoxyindolizine-3-carboxylic acid
PubChem CID170347171
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Name2-methyl-6-phenylmethoxyindolizine-3-carboxylic acid
SMILESCc1cc2ccc(OCc3ccccc3)cn2c1C(=O)O
InChIInChI=1S/C17H15NO3/c1-12-9-14-7-8-15(10-18(14)16(12)17(19)20)21-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,19,20)
InChIKeyLBXGWMXALPANMS-UHFFFAOYSA-N
XLogP3.52
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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2-bromo-5-phenylmethoxybenzoic acid
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methyl 7-phenylmethoxypyrido[1,2-a]indole-10-carboxylate
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1-(3-methyl-5-phenylmethoxyphenyl)ethanone
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1-benzyl-6-methyl-4-oxo-3-phenylmethoxypyridine-2-carboxylic acid
CID 66941625
3-methyl-5-(4-phenylmethoxyphenyl)pyridine-2-carboxylic acid
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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-phenylmethoxyindolizine-3-carboxylic acid?
The IUPAC name of 2-methyl-6-phenylmethoxyindolizine-3-carboxylic acid (CID 170347171) is 2-methyl-6-phenylmethoxyindolizine-3-carboxylic acid.
What is the SMILES notation for 2-methyl-6-phenylmethoxyindolizine-3-carboxylic acid?
The canonical SMILES for 2-methyl-6-phenylmethoxyindolizine-3-carboxylic acid is Cc1cc2ccc(OCc3ccccc3)cn2c1C(=O)O.
What is the InChIKey of 2-methyl-6-phenylmethoxyindolizine-3-carboxylic acid?
The InChIKey is LBXGWMXALPANMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3/c1-12-9-14-7-8-15(10-18(14)16(12)17(19)20)21-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,19,20).
What are the key properties of 2-methyl-6-phenylmethoxyindolizine-3-carboxylic acid?
2-methyl-6-phenylmethoxyindolizine-3-carboxylic acid has a molecular weight of 281.31 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-phenylmethoxyindolizine-3-carboxylic acid is sourced from PubChem (CID 170347171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).