ethyl 3-(2-fluorophenoxy)-1H-indole-2-carboxylate

C17H14FNO3 — CID 86224580

IUPACethyl 3-(2-fluorophenoxy)-1H-indole-2-carboxylate
SMILESCCOC(=O)c1[nH]c2ccccc2c1Oc1ccccc1F
InChIInChI=1S/C17H14FNO3/c1-2-21-17(20)15-16(11-7-3-5-9-13(11)19-15)22-14-10-6-4-8-12(14)18/h3-10,19H,2H2,1H3
InChIKeyFPMWZPWDCTTWKU-UHFFFAOYSA-N
MW299.30 g/mol
LogP4.28
Rot. Bonds4

About ethyl 3-(2-fluorophenoxy)-1H-indole-2-carboxylate

ethyl 3-(2-fluorophenoxy)-1H-indole-2-carboxylate (PubChem CID 86224580) has the molecular formula C17H14FNO3 and a molecular weight of 299.30 g/mol. Its IUPAC name is ethyl 3-(2-fluorophenoxy)-1H-indole-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-(2-fluorophenoxy)-1H-indole-2-carboxylate
PubChem CID86224580
Molecular FormulaC17H14FNO3
Molecular Weight299.30 g/mol
Exact Mass299.10
IUPAC Nameethyl 3-(2-fluorophenoxy)-1H-indole-2-carboxylate
SMILESCCOC(=O)c1[nH]c2ccccc2c1Oc1ccccc1F
InChIInChI=1S/C17H14FNO3/c1-2-21-17(20)15-16(11-7-3-5-9-13(11)19-15)22-14-10-6-4-8-12(14)18/h3-10,19H,2H2,1H3
InChIKeyFPMWZPWDCTTWKU-UHFFFAOYSA-N
XLogP4.28
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.30
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-(4-methoxyphenoxy)-1H-indole-2-carboxylate
CID 86224566
ethyl 3-propan-2-yloxy-1H-indole-2-carboxylate
CID 67372347
ethyl 3-(2-ethoxy-2-oxoethyl)-1H-indole-2-carboxylate
CID 11821846
ethyl 4-fluoro-3-hydroxy-1H-indole-2-carboxylate
CID 54706936
ethyl 2-acetyl-1H-indole-3-carboxylate
CID 71162213
3-(4-fluorophenoxy)-1H-indole-2-carboxamide
CID 11543592
ethyl 3-(3-oxobutyl)-1H-indole-2-carboxylate
CID 11974884
ethyl 3-(3-ethoxy-3-oxoprop-1-en-2-yl)-1H-indole-2-carboxylate
CID 13166911
2-(2-ethoxycarbonyl-1H-indol-3-yl)ethylazanium chloride
CID 16641200
ethyl 3-(1-ethoxyethylideneamino)-1H-indole-2-carboxylate
CID 11065638
ethyl 3-ethyl-5-fluoro-1H-indole-2-carboxylate
CID 18986264
ethyl 3-(1,2-dihydroxyethyl)-1H-indole-2-carboxylate
CID 100944788

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2-fluorophenoxy)-1H-indole-2-carboxylate?
The IUPAC name of ethyl 3-(2-fluorophenoxy)-1H-indole-2-carboxylate (CID 86224580) is ethyl 3-(2-fluorophenoxy)-1H-indole-2-carboxylate.
What is the SMILES notation for ethyl 3-(2-fluorophenoxy)-1H-indole-2-carboxylate?
The canonical SMILES for ethyl 3-(2-fluorophenoxy)-1H-indole-2-carboxylate is CCOC(=O)c1[nH]c2ccccc2c1Oc1ccccc1F.
What is the InChIKey of ethyl 3-(2-fluorophenoxy)-1H-indole-2-carboxylate?
The InChIKey is FPMWZPWDCTTWKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNO3/c1-2-21-17(20)15-16(11-7-3-5-9-13(11)19-15)22-14-10-6-4-8-12(14)18/h3-10,19H,2H2,1H3.
What are the key properties of ethyl 3-(2-fluorophenoxy)-1H-indole-2-carboxylate?
ethyl 3-(2-fluorophenoxy)-1H-indole-2-carboxylate has a molecular weight of 299.30 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2-fluorophenoxy)-1H-indole-2-carboxylate is sourced from PubChem (CID 86224580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).