(4-methoxyphenyl) 1H-indole-4-carboxylate

C16H13NO3 — CID 150869217

IUPAC(4-methoxyphenyl) 1H-indole-4-carboxylate
SMILESCOc1ccc(OC(=O)c2cccc3[nH]ccc23)cc1
InChIInChI=1S/C16H13NO3/c1-19-11-5-7-12(8-6-11)20-16(18)14-3-2-4-15-13(14)9-10-17-15/h2-10,17H,1H3
InChIKeyKTRINWMOTGCCNP-UHFFFAOYSA-N
MW267.28 g/mol
LogP3.40
Rot. Bonds3

About (4-methoxyphenyl) 1H-indole-4-carboxylate

(4-methoxyphenyl) 1H-indole-4-carboxylate (PubChem CID 150869217) has the molecular formula C16H13NO3 and a molecular weight of 267.28 g/mol. Its IUPAC name is (4-methoxyphenyl) 1H-indole-4-carboxylate.

Molecular Properties

Compound Name(4-methoxyphenyl) 1H-indole-4-carboxylate
PubChem CID150869217
Molecular FormulaC16H13NO3
Molecular Weight267.28 g/mol
Exact Mass267.09
IUPAC Name(4-methoxyphenyl) 1H-indole-4-carboxylate
SMILESCOc1ccc(OC(=O)c2cccc3[nH]ccc23)cc1
InChIInChI=1S/C16H13NO3/c1-19-11-5-7-12(8-6-11)20-16(18)14-3-2-4-15-13(14)9-10-17-15/h2-10,17H,1H3
InChIKeyKTRINWMOTGCCNP-UHFFFAOYSA-N
XLogP3.40
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (4-methoxyphenyl) 1H-indole-4-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 (4-methoxyphenyl) 1H-indole-4-carboxylate?
The IUPAC name of (4-methoxyphenyl) 1H-indole-4-carboxylate (CID 150869217) is (4-methoxyphenyl) 1H-indole-4-carboxylate.
What is the SMILES notation for (4-methoxyphenyl) 1H-indole-4-carboxylate?
The canonical SMILES for (4-methoxyphenyl) 1H-indole-4-carboxylate is COc1ccc(OC(=O)c2cccc3[nH]ccc23)cc1.
What is the InChIKey of (4-methoxyphenyl) 1H-indole-4-carboxylate?
The InChIKey is KTRINWMOTGCCNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO3/c1-19-11-5-7-12(8-6-11)20-16(18)14-3-2-4-15-13(14)9-10-17-15/h2-10,17H,1H3.
What are the key properties of (4-methoxyphenyl) 1H-indole-4-carboxylate?
(4-methoxyphenyl) 1H-indole-4-carboxylate has a molecular weight of 267.28 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl) 1H-indole-4-carboxylate is sourced from PubChem (CID 150869217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).