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

C17H15NO4 — CID 117178684

IUPAC3-[(2-methoxyphenoxy)methyl]-1H-indole-6-carboxylic acid
SMILESCOc1ccccc1OCc1c[nH]c2cc(C(=O)O)ccc12
InChIInChI=1S/C17H15NO4/c1-21-15-4-2-3-5-16(15)22-10-12-9-18-14-8-11(17(19)20)6-7-13(12)14/h2-9,18H,10H2,1H3,(H,19,20)
InChIKeyHHVIZPPHXIOEOZ-UHFFFAOYSA-N
MW297.31 g/mol
LogP3.45
Rot. Bonds5

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

3-[(2-methoxyphenoxy)methyl]-1H-indole-6-carboxylic acid (PubChem CID 117178684) has the molecular formula C17H15NO4 and a molecular weight of 297.31 g/mol. Its IUPAC name is 3-[(2-methoxyphenoxy)methyl]-1H-indole-6-carboxylic acid.

Molecular Properties

Compound Name3-[(2-methoxyphenoxy)methyl]-1H-indole-6-carboxylic acid
PubChem CID117178684
Molecular FormulaC17H15NO4
Molecular Weight297.31 g/mol
Exact Mass297.10
IUPAC Name3-[(2-methoxyphenoxy)methyl]-1H-indole-6-carboxylic acid
SMILESCOc1ccccc1OCc1c[nH]c2cc(C(=O)O)ccc12
InChIInChI=1S/C17H15NO4/c1-21-15-4-2-3-5-16(15)22-10-12-9-18-14-8-11(17(19)20)6-7-13(12)14/h2-9,18H,10H2,1H3,(H,19,20)
InChIKeyHHVIZPPHXIOEOZ-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

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Related Compounds

3-fluoro-4-[(2-methoxyphenoxy)methyl]benzoic acid
CID 63072909
3-(2-aminopropyl)-1H-indole-6-carboxylic acid
CID 23071145
N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-4-[(2-methoxyphenoxy)methyl]benzamide
CID 4898664
4-methoxy-3-(naphthalen-1-ylmethoxy)benzoic acid
CID 20986648
3-(methoxymethyl)-1H-indole-5-carboxylic acid
CID 117175321
3-[(2-methoxyphenoxy)methyl]benzoic acid
CID 890775
6-methyl-3-[(2-methylphenoxy)methyl]-1H-indole
CID 117185650
3-hexadecyl-1H-indole-6-carboxylic acid
CID 12797258
3-octyl-1H-indole-6-carboxylic acid
CID 12797257
4-[(2,3-difluorophenyl)methoxy]-3-methoxybenzoic acid
CID 43233816
3-[(propan-2-ylamino)methyl]-1H-indole-6-carboxylic acid
CID 117178714
6-fluoro-3-[(2-methylphenoxy)methyl]-1H-indole
CID 117178425

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methoxyphenoxy)methyl]-1H-indole-6-carboxylic acid?
The IUPAC name of 3-[(2-methoxyphenoxy)methyl]-1H-indole-6-carboxylic acid (CID 117178684) is 3-[(2-methoxyphenoxy)methyl]-1H-indole-6-carboxylic acid.
What is the SMILES notation for 3-[(2-methoxyphenoxy)methyl]-1H-indole-6-carboxylic acid?
The canonical SMILES for 3-[(2-methoxyphenoxy)methyl]-1H-indole-6-carboxylic acid is COc1ccccc1OCc1c[nH]c2cc(C(=O)O)ccc12.
What is the InChIKey of 3-[(2-methoxyphenoxy)methyl]-1H-indole-6-carboxylic acid?
The InChIKey is HHVIZPPHXIOEOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO4/c1-21-15-4-2-3-5-16(15)22-10-12-9-18-14-8-11(17(19)20)6-7-13(12)14/h2-9,18H,10H2,1H3,(H,19,20).
What are the key properties of 3-[(2-methoxyphenoxy)methyl]-1H-indole-6-carboxylic acid?
3-[(2-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 3-[(2-methoxyphenoxy)methyl]-1H-indole-6-carboxylic acid is sourced from PubChem (CID 117178684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).