2-[(2-methoxyphenyl)methyl]isoindole-5-carboxylic acid

C17H15NO3 — CID 82163637

IUPAC2-[(2-methoxyphenyl)methyl]isoindole-5-carboxylic acid
SMILESCOc1ccccc1Cn1cc2ccc(C(=O)O)cc2c1
InChIInChI=1S/C17H15NO3/c1-21-16-5-3-2-4-14(16)10-18-9-13-7-6-12(17(19)20)8-15(13)11-18/h2-9,11H,10H2,1H3,(H,19,20)
InChIKeyYAXLXDHLGSJXHZ-UHFFFAOYSA-N
MW281.31 g/mol
LogP3.40
Rot. Bonds4

About 2-[(2-methoxyphenyl)methyl]isoindole-5-carboxylic acid

2-[(2-methoxyphenyl)methyl]isoindole-5-carboxylic acid (PubChem CID 82163637) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-[(2-methoxyphenyl)methyl]isoindole-5-carboxylic acid.

Molecular Properties

Compound Name2-[(2-methoxyphenyl)methyl]isoindole-5-carboxylic acid
PubChem CID82163637
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Name2-[(2-methoxyphenyl)methyl]isoindole-5-carboxylic acid
SMILESCOc1ccccc1Cn1cc2ccc(C(=O)O)cc2c1
InChIInChI=1S/C17H15NO3/c1-21-16-5-3-2-4-14(16)10-18-9-13-7-6-12(17(19)20)8-15(13)11-18/h2-9,11H,10H2,1H3,(H,19,20)
InChIKeyYAXLXDHLGSJXHZ-UHFFFAOYSA-N
XLogP3.40
TPSA51.46 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 ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(2-methoxyphenyl)methyl]isoindole-5-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-[2-(4-methoxyphenoxy)ethyl]isoindole-5-carboxylic acid
CID 94778606
(4-methoxyphenyl)-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 704389
3-[(2-methoxyphenyl)methyl]benzimidazole-5-carboxylic acid
CID 82769947
1-[(2-methoxyphenyl)methyl]-4-[(4-methoxyphenyl)methyl]piperazine;oxalic acid
CID 24761997
(3,4-dimethylphenyl)-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 110398984
2-(2-hydroxyethyl)isoindole-5-carboxylic acid
CID 82163606
3-methoxy-4-(piperidin-1-ylmethyl)benzoic acid
CID 117219368
(3,4-dimethoxyphenyl)-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]methanone;oxalic acid
CID 17385004
2-(2-carboxyethyl)isoindole-5-carboxylic acid
CID 82163654
3-methoxy-N-[2-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]ethyl]benzamide
CID 10572037
1-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-(2-methoxyphenyl)ethanone
CID 25473025
1-[(3,4-dimethoxyphenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazine;oxalic acid
CID 17367068

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxyphenyl)methyl]isoindole-5-carboxylic acid?
The IUPAC name of 2-[(2-methoxyphenyl)methyl]isoindole-5-carboxylic acid (CID 82163637) is 2-[(2-methoxyphenyl)methyl]isoindole-5-carboxylic acid.
What is the SMILES notation for 2-[(2-methoxyphenyl)methyl]isoindole-5-carboxylic acid?
The canonical SMILES for 2-[(2-methoxyphenyl)methyl]isoindole-5-carboxylic acid is COc1ccccc1Cn1cc2ccc(C(=O)O)cc2c1.
What is the InChIKey of 2-[(2-methoxyphenyl)methyl]isoindole-5-carboxylic acid?
The InChIKey is YAXLXDHLGSJXHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3/c1-21-16-5-3-2-4-14(16)10-18-9-13-7-6-12(17(19)20)8-15(13)11-18/h2-9,11H,10H2,1H3,(H,19,20).
What are the key properties of 2-[(2-methoxyphenyl)methyl]isoindole-5-carboxylic acid?
2-[(2-methoxyphenyl)methyl]isoindole-5-carboxylic acid has a molecular weight of 281.31 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxyphenyl)methyl]isoindole-5-carboxylic acid is sourced from PubChem (CID 82163637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).