1-[2-(2-methoxyphenoxy)ethyl]-5-methylindole-3-carboxylic acid

C19H19NO4 — CID 25109967

IUPAC1-[2-(2-methoxyphenoxy)ethyl]-5-methylindole-3-carboxylic acid
SMILESCOc1ccccc1OCCn1cc(C(=O)O)c2cc(C)ccc21
InChIInChI=1S/C19H19NO4/c1-13-7-8-16-14(11-13)15(19(21)22)12-20(16)9-10-24-18-6-4-3-5-17(18)23-2/h3-8,11-12H,9-10H2,1-2H3,(H,21,22)
InChIKeyJEEDIXHSSTZJGN-UHFFFAOYSA-N
MW325.36 g/mol
LogP3.74
Rot. Bonds6

About 1-[2-(2-methoxyphenoxy)ethyl]-5-methylindole-3-carboxylic acid

1-[2-(2-methoxyphenoxy)ethyl]-5-methylindole-3-carboxylic acid (PubChem CID 25109967) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is 1-[2-(2-methoxyphenoxy)ethyl]-5-methylindole-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2-methoxyphenoxy)ethyl]-5-methylindole-3-carboxylic acid
PubChem CID25109967
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC Name1-[2-(2-methoxyphenoxy)ethyl]-5-methylindole-3-carboxylic acid
SMILESCOc1ccccc1OCCn1cc(C(=O)O)c2cc(C)ccc21
InChIInChI=1S/C19H19NO4/c1-13-7-8-16-14(11-13)15(19(21)22)12-20(16)9-10-24-18-6-4-3-5-17(18)23-2/h3-8,11-12H,9-10H2,1-2H3,(H,21,22)
InChIKeyJEEDIXHSSTZJGN-UHFFFAOYSA-N
XLogP3.74
TPSA60.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(2,5-dimethylphenoxy)propyl]indole-3-carboxylic acid
CID 22332903
1-ethyl-5-methylindole-3-carboxylic acid
CID 52911028
5,6-dimethoxy-1-(2-methoxyethyl)indole-3-carboxylic acid
CID 66973768
1-(2-hydroxyethyl)-5-methylindole-3-carboxamide
CID 173096651
1-(3-hydroxypropyl)-5,6-dimethoxyindole-3-carboxylic acid
CID 83947486
1-(2-propan-2-yloxyethyl)indole-3-carboxylic acid
CID 54957599
1-[1-[2-(3-methylphenoxy)ethyl]indol-3-yl]ethanone
CID 117098447
[5-bromo-1-[2-(2-methylphenoxy)ethyl]indol-3-yl]-morpholin-4-ylmethanethione
CID 46499972
2,4-dimethoxybenzamide;1-(2-phenylethyl)indole-3-carboxylic acid
CID 175255452
[1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]indol-3-yl]-piperidin-1-ylmethanethione
CID 1281079
5-methyl-2-(2-propoxyphenoxy)benzoic acid
CID 62514617
1-[1-(2-methoxyethyl)indol-3-yl]-3-(2-methoxy-5-methylphenyl)urea
CID 16803764

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyphenoxy)ethyl]-5-methylindole-3-carboxylic acid?
The IUPAC name of 1-[2-(2-methoxyphenoxy)ethyl]-5-methylindole-3-carboxylic acid (CID 25109967) is 1-[2-(2-methoxyphenoxy)ethyl]-5-methylindole-3-carboxylic acid.
What is the SMILES notation for 1-[2-(2-methoxyphenoxy)ethyl]-5-methylindole-3-carboxylic acid?
The canonical SMILES for 1-[2-(2-methoxyphenoxy)ethyl]-5-methylindole-3-carboxylic acid is COc1ccccc1OCCn1cc(C(=O)O)c2cc(C)ccc21.
What is the InChIKey of 1-[2-(2-methoxyphenoxy)ethyl]-5-methylindole-3-carboxylic acid?
The InChIKey is JEEDIXHSSTZJGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO4/c1-13-7-8-16-14(11-13)15(19(21)22)12-20(16)9-10-24-18-6-4-3-5-17(18)23-2/h3-8,11-12H,9-10H2,1-2H3,(H,21,22).
What are the key properties of 1-[2-(2-methoxyphenoxy)ethyl]-5-methylindole-3-carboxylic acid?
1-[2-(2-methoxyphenoxy)ethyl]-5-methylindole-3-carboxylic acid has a molecular weight of 325.36 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyphenoxy)ethyl]-5-methylindole-3-carboxylic acid is sourced from PubChem (CID 25109967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).