2-[(2-hydroxyphenoxy)methyl]-1-methylindole-4-carboxylic acid

C17H15NO4 — CID 117173539

IUPAC2-[(2-hydroxyphenoxy)methyl]-1-methylindole-4-carboxylic acid
SMILESCn1c(COc2ccccc2O)cc2c(C(=O)O)cccc21
InChIInChI=1S/C17H15NO4/c1-18-11(10-22-16-8-3-2-7-15(16)19)9-13-12(17(20)21)5-4-6-14(13)18/h2-9,19H,10H2,1H3,(H,20,21)
InChIKeyGJTXIQHYJNLSLW-UHFFFAOYSA-N
MW297.31 g/mol
LogP3.16
Rot. Bonds4

About 2-[(2-hydroxyphenoxy)methyl]-1-methylindole-4-carboxylic acid

2-[(2-hydroxyphenoxy)methyl]-1-methylindole-4-carboxylic acid (PubChem CID 117173539) has the molecular formula C17H15NO4 and a molecular weight of 297.31 g/mol. Its IUPAC name is 2-[(2-hydroxyphenoxy)methyl]-1-methylindole-4-carboxylic acid.

Molecular Properties

Compound Name2-[(2-hydroxyphenoxy)methyl]-1-methylindole-4-carboxylic acid
PubChem CID117173539
Molecular FormulaC17H15NO4
Molecular Weight297.31 g/mol
Exact Mass297.10
IUPAC Name2-[(2-hydroxyphenoxy)methyl]-1-methylindole-4-carboxylic acid
SMILESCn1c(COc2ccccc2O)cc2c(C(=O)O)cccc21
InChIInChI=1S/C17H15NO4/c1-18-11(10-22-16-8-3-2-7-15(16)19)9-13-12(17(20)21)5-4-6-14(13)18/h2-9,19H,10H2,1H3,(H,20,21)
InChIKeyGJTXIQHYJNLSLW-UHFFFAOYSA-N
XLogP3.16
TPSA71.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxyphenoxy)methyl]-1-methylindole-4-carboxylic acid?
The IUPAC name of 2-[(2-hydroxyphenoxy)methyl]-1-methylindole-4-carboxylic acid (CID 117173539) is 2-[(2-hydroxyphenoxy)methyl]-1-methylindole-4-carboxylic acid.
What is the SMILES notation for 2-[(2-hydroxyphenoxy)methyl]-1-methylindole-4-carboxylic acid?
The canonical SMILES for 2-[(2-hydroxyphenoxy)methyl]-1-methylindole-4-carboxylic acid is Cn1c(COc2ccccc2O)cc2c(C(=O)O)cccc21.
What is the InChIKey of 2-[(2-hydroxyphenoxy)methyl]-1-methylindole-4-carboxylic acid?
The InChIKey is GJTXIQHYJNLSLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO4/c1-18-11(10-22-16-8-3-2-7-15(16)19)9-13-12(17(20)21)5-4-6-14(13)18/h2-9,19H,10H2,1H3,(H,20,21).
What are the key properties of 2-[(2-hydroxyphenoxy)methyl]-1-methylindole-4-carboxylic acid?
2-[(2-hydroxyphenoxy)methyl]-1-methylindole-4-carboxylic acid has a molecular weight of 297.31 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxyphenoxy)methyl]-1-methylindole-4-carboxylic acid is sourced from PubChem (CID 117173539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).