ethyl 3-(4-methoxyphenoxy)-1H-indole-2-carboxylate

C18H17NO4 — CID 86224566

IUPACethyl 3-(4-methoxyphenoxy)-1H-indole-2-carboxylate
SMILESCCOC(=O)c1[nH]c2ccccc2c1Oc1ccc(OC)cc1
InChIInChI=1S/C18H17NO4/c1-3-22-18(20)16-17(14-6-4-5-7-15(14)19-16)23-13-10-8-12(21-2)9-11-13/h4-11,19H,3H2,1-2H3
InChIKeyZXKJZWLOZNGQPR-UHFFFAOYSA-N
MW311.34 g/mol
LogP4.15
Rot. Bonds5

About ethyl 3-(4-methoxyphenoxy)-1H-indole-2-carboxylate

ethyl 3-(4-methoxyphenoxy)-1H-indole-2-carboxylate (PubChem CID 86224566) has the molecular formula C18H17NO4 and a molecular weight of 311.34 g/mol. Its IUPAC name is ethyl 3-(4-methoxyphenoxy)-1H-indole-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-(4-methoxyphenoxy)-1H-indole-2-carboxylate
PubChem CID86224566
Molecular FormulaC18H17NO4
Molecular Weight311.34 g/mol
Exact Mass311.12
IUPAC Nameethyl 3-(4-methoxyphenoxy)-1H-indole-2-carboxylate
SMILESCCOC(=O)c1[nH]c2ccccc2c1Oc1ccc(OC)cc1
InChIInChI=1S/C18H17NO4/c1-3-22-18(20)16-17(14-6-4-5-7-15(14)19-16)23-13-10-8-12(21-2)9-11-13/h4-11,19H,3H2,1-2H3
InChIKeyZXKJZWLOZNGQPR-UHFFFAOYSA-N
XLogP4.15
TPSA60.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 3-(4-methoxyphenoxy)-1H-indole-2-carboxylate 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

ethyl 3-(2-fluorophenoxy)-1H-indole-2-carboxylate
CID 86224580
ethyl 3-propan-2-yloxy-1H-indole-2-carboxylate
CID 67372347
[3-(4-methoxyphenoxy)-1H-indol-2-yl] carbamate
CID 68809748
ethyl 2-(4-methoxyphenyl)-4-oxo-1H-quinoline-3-carboxylate
CID 3022167
ethyl 3-(aminomethyl)-5-phenoxy-1H-indole-2-carboxylate
CID 94949097
3-(4-fluorophenoxy)-1H-indole-2-carboxamide
CID 11543592
2-(4-methoxyphenyl)ethyl 3-chloro-1H-indole-2-carboxylate
CID 46459684
ethyl 3-(2-ethoxy-2-oxoethyl)-1H-indole-2-carboxylate
CID 11821846
ethyl 3-(methoxymethyl)-4-oxo-1H-quinoline-2-carboxylate
CID 66789845
ethyl 3-(2-ethoxy-2-oxoethyl)-5-methoxy-1H-indole-2-carboxylate
CID 10590673
ethyl 2-acetyl-1H-indole-3-carboxylate
CID 71162213
ethyl 3-(ethoxycarbonylamino)-5-methoxy-1H-indole-2-carboxylate
CID 6615701

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(4-methoxyphenoxy)-1H-indole-2-carboxylate?
The IUPAC name of ethyl 3-(4-methoxyphenoxy)-1H-indole-2-carboxylate (CID 86224566) is ethyl 3-(4-methoxyphenoxy)-1H-indole-2-carboxylate.
What is the SMILES notation for ethyl 3-(4-methoxyphenoxy)-1H-indole-2-carboxylate?
The canonical SMILES for ethyl 3-(4-methoxyphenoxy)-1H-indole-2-carboxylate is CCOC(=O)c1[nH]c2ccccc2c1Oc1ccc(OC)cc1.
What is the InChIKey of ethyl 3-(4-methoxyphenoxy)-1H-indole-2-carboxylate?
The InChIKey is ZXKJZWLOZNGQPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO4/c1-3-22-18(20)16-17(14-6-4-5-7-15(14)19-16)23-13-10-8-12(21-2)9-11-13/h4-11,19H,3H2,1-2H3.
What are the key properties of ethyl 3-(4-methoxyphenoxy)-1H-indole-2-carboxylate?
ethyl 3-(4-methoxyphenoxy)-1H-indole-2-carboxylate has a molecular weight of 311.34 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(4-methoxyphenoxy)-1H-indole-2-carboxylate is sourced from PubChem (CID 86224566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).