methyl 2-(5-hydroxyindol-1-yl)acetate

C11H11NO3 — CID 20770839

IUPACmethyl 2-(5-hydroxyindol-1-yl)acetate
SMILESCOC(=O)Cn1ccc2cc(O)ccc21
InChIInChI=1S/C11H11NO3/c1-15-11(14)7-12-5-4-8-6-9(13)2-3-10(8)12/h2-6,13H,7H2,1H3
InChIKeyXNSGCNDMVQXGPC-UHFFFAOYSA-N
MW205.21 g/mol
LogP1.52
Rot. Bonds2

About methyl 2-(5-hydroxyindol-1-yl)acetate

methyl 2-(5-hydroxyindol-1-yl)acetate (PubChem CID 20770839) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is methyl 2-(5-hydroxyindol-1-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(5-hydroxyindol-1-yl)acetate
PubChem CID20770839
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Namemethyl 2-(5-hydroxyindol-1-yl)acetate
SMILESCOC(=O)Cn1ccc2cc(O)ccc21
InChIInChI=1S/C11H11NO3/c1-15-11(14)7-12-5-4-8-6-9(13)2-3-10(8)12/h2-6,13H,7H2,1H3
InChIKeyXNSGCNDMVQXGPC-UHFFFAOYSA-N
XLogP1.52
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-(5-hydroxyindol-1-yl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-hydroxyindol-1-yl)acetate?
The IUPAC name of methyl 2-(5-hydroxyindol-1-yl)acetate (CID 20770839) is methyl 2-(5-hydroxyindol-1-yl)acetate.
What is the SMILES notation for methyl 2-(5-hydroxyindol-1-yl)acetate?
The canonical SMILES for methyl 2-(5-hydroxyindol-1-yl)acetate is COC(=O)Cn1ccc2cc(O)ccc21.
What is the InChIKey of methyl 2-(5-hydroxyindol-1-yl)acetate?
The InChIKey is XNSGCNDMVQXGPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3/c1-15-11(14)7-12-5-4-8-6-9(13)2-3-10(8)12/h2-6,13H,7H2,1H3.
What are the key properties of methyl 2-(5-hydroxyindol-1-yl)acetate?
methyl 2-(5-hydroxyindol-1-yl)acetate has a molecular weight of 205.21 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-hydroxyindol-1-yl)acetate is sourced from PubChem (CID 20770839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).