3-[(3-hydroxyphenoxy)methyl]-1-methylindole-4-carboxylic acid

C17H15NO4 — CID 117171575

IUPAC3-[(3-hydroxyphenoxy)methyl]-1-methylindole-4-carboxylic acid
SMILESCn1cc(COc2cccc(O)c2)c2c(C(=O)O)cccc21
InChIInChI=1S/C17H15NO4/c1-18-9-11(10-22-13-5-2-4-12(19)8-13)16-14(17(20)21)6-3-7-15(16)18/h2-9,19H,10H2,1H3,(H,20,21)
InChIKeyGLJOTBRACGILAE-UHFFFAOYSA-N
MW297.31 g/mol
LogP3.16
Rot. Bonds4

About 3-[(3-hydroxyphenoxy)methyl]-1-methylindole-4-carboxylic acid

3-[(3-hydroxyphenoxy)methyl]-1-methylindole-4-carboxylic acid (PubChem CID 117171575) has the molecular formula C17H15NO4 and a molecular weight of 297.31 g/mol. Its IUPAC name is 3-[(3-hydroxyphenoxy)methyl]-1-methylindole-4-carboxylic acid.

Molecular Properties

Compound Name3-[(3-hydroxyphenoxy)methyl]-1-methylindole-4-carboxylic acid
PubChem CID117171575
Molecular FormulaC17H15NO4
Molecular Weight297.31 g/mol
Exact Mass297.10
IUPAC Name3-[(3-hydroxyphenoxy)methyl]-1-methylindole-4-carboxylic acid
SMILESCn1cc(COc2cccc(O)c2)c2c(C(=O)O)cccc21
InChIInChI=1S/C17H15NO4/c1-18-9-11(10-22-13-5-2-4-12(19)8-13)16-14(17(20)21)6-3-7-15(16)18/h2-9,19H,10H2,1H3,(H,20,21)
InChIKeyGLJOTBRACGILAE-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

Analyze 3-[(3-hydroxyphenoxy)methyl]-1-methylindole-4-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

1-methyl-3-[(3-methylphenoxy)methyl]indole-4-carboxylic acid
CID 117171568
1-methyl-3-(propan-2-yloxymethyl)indole-4-carboxylic acid
CID 117171603
ethane;2-[(3-hydroxyphenoxy)methyl]benzoic acid
CID 91444077
3-[(1,5-dimethylindol-3-yl)methoxy]phenol
CID 117185130
3-[(3-chlorophenoxy)methyl]-1-methylindole-7-carboxylic acid
CID 117182146
1-ethyl-3-[(3-hydroxyphenoxy)methyl]indol-4-ol
CID 117171916
3-(azepan-1-ylmethyl)-1-methylindole-4-carboxylic acid
CID 117171543
3-[(3-hydroxyphenoxy)methyl]-1-benzofuran-7-carboxylic acid
CID 117181173
4-[(3-hydroxyphenoxy)methyl]-1-methylimidazole-2-carboxylic acid
CID 117191697
3-[(3-fluorophenoxy)methyl]-1-methylindol-4-amine
CID 117171340
1-ethyl-5-[(3-hydroxyphenoxy)methyl]pyrazole-4-carboxylic acid
CID 117217970
3-[(1-ethyl-4-methylindol-3-yl)methoxy]phenol
CID 117184653

Frequently Asked Questions

What is the IUPAC name of 3-[(3-hydroxyphenoxy)methyl]-1-methylindole-4-carboxylic acid?
The IUPAC name of 3-[(3-hydroxyphenoxy)methyl]-1-methylindole-4-carboxylic acid (CID 117171575) is 3-[(3-hydroxyphenoxy)methyl]-1-methylindole-4-carboxylic acid.
What is the SMILES notation for 3-[(3-hydroxyphenoxy)methyl]-1-methylindole-4-carboxylic acid?
The canonical SMILES for 3-[(3-hydroxyphenoxy)methyl]-1-methylindole-4-carboxylic acid is Cn1cc(COc2cccc(O)c2)c2c(C(=O)O)cccc21.
What is the InChIKey of 3-[(3-hydroxyphenoxy)methyl]-1-methylindole-4-carboxylic acid?
The InChIKey is GLJOTBRACGILAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO4/c1-18-9-11(10-22-13-5-2-4-12(19)8-13)16-14(17(20)21)6-3-7-15(16)18/h2-9,19H,10H2,1H3,(H,20,21).
What are the key properties of 3-[(3-hydroxyphenoxy)methyl]-1-methylindole-4-carboxylic acid?
3-[(3-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 3-[(3-hydroxyphenoxy)methyl]-1-methylindole-4-carboxylic acid is sourced from PubChem (CID 117171575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).