methyl 2-(2-phenylmethoxyethyl)-1H-indole-3-carboxylate

C19H19NO3 — CID 24988540

IUPACmethyl 2-(2-phenylmethoxyethyl)-1H-indole-3-carboxylate
SMILESCOC(=O)c1c(CCOCc2ccccc2)[nH]c2ccccc12
InChIInChI=1S/C19H19NO3/c1-22-19(21)18-15-9-5-6-10-16(15)20-17(18)11-12-23-13-14-7-3-2-4-8-14/h2-10,20H,11-13H2,1H3
InChIKeyAREIOFAGAFGMAD-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.71
Rot. Bonds6

About methyl 2-(2-phenylmethoxyethyl)-1H-indole-3-carboxylate

methyl 2-(2-phenylmethoxyethyl)-1H-indole-3-carboxylate (PubChem CID 24988540) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is methyl 2-(2-phenylmethoxyethyl)-1H-indole-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-(2-phenylmethoxyethyl)-1H-indole-3-carboxylate
PubChem CID24988540
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC Namemethyl 2-(2-phenylmethoxyethyl)-1H-indole-3-carboxylate
SMILESCOC(=O)c1c(CCOCc2ccccc2)[nH]c2ccccc12
InChIInChI=1S/C19H19NO3/c1-22-19(21)18-15-9-5-6-10-16(15)20-17(18)11-12-23-13-14-7-3-2-4-8-14/h2-10,20H,11-13H2,1H3
InChIKeyAREIOFAGAFGMAD-UHFFFAOYSA-N
XLogP3.71
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze methyl 2-(2-phenylmethoxyethyl)-1H-indole-3-carboxylate 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-(2-phenylmethoxyethyl)-1H-indole-3-carboxylate?
The IUPAC name of methyl 2-(2-phenylmethoxyethyl)-1H-indole-3-carboxylate (CID 24988540) is methyl 2-(2-phenylmethoxyethyl)-1H-indole-3-carboxylate.
What is the SMILES notation for methyl 2-(2-phenylmethoxyethyl)-1H-indole-3-carboxylate?
The canonical SMILES for methyl 2-(2-phenylmethoxyethyl)-1H-indole-3-carboxylate is COC(=O)c1c(CCOCc2ccccc2)[nH]c2ccccc12.
What is the InChIKey of methyl 2-(2-phenylmethoxyethyl)-1H-indole-3-carboxylate?
The InChIKey is AREIOFAGAFGMAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO3/c1-22-19(21)18-15-9-5-6-10-16(15)20-17(18)11-12-23-13-14-7-3-2-4-8-14/h2-10,20H,11-13H2,1H3.
What are the key properties of methyl 2-(2-phenylmethoxyethyl)-1H-indole-3-carboxylate?
methyl 2-(2-phenylmethoxyethyl)-1H-indole-3-carboxylate has a molecular weight of 309.37 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-phenylmethoxyethyl)-1H-indole-3-carboxylate is sourced from PubChem (CID 24988540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).