2-[(3-methoxyphenoxy)methyl]-1H-indole-6-carboxylic acid

C17H15NO4 — CID 117180416

IUPAC2-[(3-methoxyphenoxy)methyl]-1H-indole-6-carboxylic acid
SMILESCOc1cccc(OCc2cc3ccc(C(=O)O)cc3[nH]2)c1
InChIInChI=1S/C17H15NO4/c1-21-14-3-2-4-15(9-14)22-10-13-7-11-5-6-12(17(19)20)8-16(11)18-13/h2-9,18H,10H2,1H3,(H,19,20)
InChIKeyFRMOZPJLIQGEIG-UHFFFAOYSA-N
MW297.31 g/mol
LogP3.45
Rot. Bonds5

About 2-[(3-methoxyphenoxy)methyl]-1H-indole-6-carboxylic acid

2-[(3-methoxyphenoxy)methyl]-1H-indole-6-carboxylic acid (PubChem CID 117180416) has the molecular formula C17H15NO4 and a molecular weight of 297.31 g/mol. Its IUPAC name is 2-[(3-methoxyphenoxy)methyl]-1H-indole-6-carboxylic acid.

Molecular Properties

Compound Name2-[(3-methoxyphenoxy)methyl]-1H-indole-6-carboxylic acid
PubChem CID117180416
Molecular FormulaC17H15NO4
Molecular Weight297.31 g/mol
Exact Mass297.10
IUPAC Name2-[(3-methoxyphenoxy)methyl]-1H-indole-6-carboxylic acid
SMILESCOc1cccc(OCc2cc3ccc(C(=O)O)cc3[nH]2)c1
InChIInChI=1S/C17H15NO4/c1-21-14-3-2-4-15(9-14)22-10-13-7-11-5-6-12(17(19)20)8-16(11)18-13/h2-9,18H,10H2,1H3,(H,19,20)
InChIKeyFRMOZPJLIQGEIG-UHFFFAOYSA-N
XLogP3.45
TPSA71.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(3-methoxyphenoxy)methyl]-1H-indole-6-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-[(3-hydroxyphenoxy)methyl]-1H-indole-6-carboxylic acid
CID 117180415
2-[(3-hydroxyphenoxy)methyl]-1H-indol-6-ol
CID 117180212
2-[(3-methoxyphenoxy)methyl]-1H-indol-7-ol
CID 117183677
6-bromo-2-[(3-methylphenoxy)methyl]-1H-indole
CID 117180187
3-[(3-methoxyphenoxy)methyl]-1-methylindole-6-carboxylic acid
CID 117178696
(6-methoxy-1H-indol-2-yl)methanol
CID 10845030
3-[2-(4-methoxyphenyl)sulfanylethoxy]benzoic acid
CID 43532423
4-[(3,5-dimethoxyphenoxy)methyl]benzoic acid
CID 43238029
5-ethyl-2-[(3-methoxyphenoxy)methyl]-1,3-thiazole-4-carboxylic acid
CID 117098878
3-[[6-(3-methoxyphenoxy)-1-methylbenzimidazol-2-yl]methoxy]benzoic acid
CID 68661491
N-[2-[[6-[(3-methoxyphenoxy)methyl]-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide
CID 10151235
3-[(3-methoxyphenyl)methyl]benzoic acid
CID 86242874

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxyphenoxy)methyl]-1H-indole-6-carboxylic acid?
The IUPAC name of 2-[(3-methoxyphenoxy)methyl]-1H-indole-6-carboxylic acid (CID 117180416) is 2-[(3-methoxyphenoxy)methyl]-1H-indole-6-carboxylic acid.
What is the SMILES notation for 2-[(3-methoxyphenoxy)methyl]-1H-indole-6-carboxylic acid?
The canonical SMILES for 2-[(3-methoxyphenoxy)methyl]-1H-indole-6-carboxylic acid is COc1cccc(OCc2cc3ccc(C(=O)O)cc3[nH]2)c1.
What is the InChIKey of 2-[(3-methoxyphenoxy)methyl]-1H-indole-6-carboxylic acid?
The InChIKey is FRMOZPJLIQGEIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO4/c1-21-14-3-2-4-15(9-14)22-10-13-7-11-5-6-12(17(19)20)8-16(11)18-13/h2-9,18H,10H2,1H3,(H,19,20).
What are the key properties of 2-[(3-methoxyphenoxy)methyl]-1H-indole-6-carboxylic acid?
2-[(3-methoxyphenoxy)methyl]-1H-indole-6-carboxylic acid has a molecular weight of 297.31 g/mol, XLogP of 3.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxyphenoxy)methyl]-1H-indole-6-carboxylic acid is sourced from PubChem (CID 117180416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).