ethyl 5-(4-fluorophenoxy)-1H-indole-2-carboxylate

C17H14FNO3 — CID 172554681

IUPACethyl 5-(4-fluorophenoxy)-1H-indole-2-carboxylate
SMILESCCOC(=O)c1cc2cc(Oc3ccc(F)cc3)ccc2[nH]1
InChIInChI=1S/C17H14FNO3/c1-2-21-17(20)16-10-11-9-14(7-8-15(11)19-16)22-13-5-3-12(18)4-6-13/h3-10,19H,2H2,1H3
InChIKeySPCMCFSSFKFNLS-UHFFFAOYSA-N
MW299.30 g/mol
LogP4.28
Rot. Bonds4

About ethyl 5-(4-fluorophenoxy)-1H-indole-2-carboxylate

ethyl 5-(4-fluorophenoxy)-1H-indole-2-carboxylate (PubChem CID 172554681) has the molecular formula C17H14FNO3 and a molecular weight of 299.30 g/mol. Its IUPAC name is ethyl 5-(4-fluorophenoxy)-1H-indole-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-(4-fluorophenoxy)-1H-indole-2-carboxylate
PubChem CID172554681
Molecular FormulaC17H14FNO3
Molecular Weight299.30 g/mol
Exact Mass299.10
IUPAC Nameethyl 5-(4-fluorophenoxy)-1H-indole-2-carboxylate
SMILESCCOC(=O)c1cc2cc(Oc3ccc(F)cc3)ccc2[nH]1
InChIInChI=1S/C17H14FNO3/c1-2-21-17(20)16-10-11-9-14(7-8-15(11)19-16)22-13-5-3-12(18)4-6-13/h3-10,19H,2H2,1H3
InChIKeySPCMCFSSFKFNLS-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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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(4-fluorophenoxy)-1H-indole-2-carboxylate?
The IUPAC name of ethyl 5-(4-fluorophenoxy)-1H-indole-2-carboxylate (CID 172554681) is ethyl 5-(4-fluorophenoxy)-1H-indole-2-carboxylate.
What is the SMILES notation for ethyl 5-(4-fluorophenoxy)-1H-indole-2-carboxylate?
The canonical SMILES for ethyl 5-(4-fluorophenoxy)-1H-indole-2-carboxylate is CCOC(=O)c1cc2cc(Oc3ccc(F)cc3)ccc2[nH]1.
What is the InChIKey of ethyl 5-(4-fluorophenoxy)-1H-indole-2-carboxylate?
The InChIKey is SPCMCFSSFKFNLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNO3/c1-2-21-17(20)16-10-11-9-14(7-8-15(11)19-16)22-13-5-3-12(18)4-6-13/h3-10,19H,2H2,1H3.
What are the key properties of ethyl 5-(4-fluorophenoxy)-1H-indole-2-carboxylate?
ethyl 5-(4-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 5-(4-fluorophenoxy)-1H-indole-2-carboxylate is sourced from PubChem (CID 172554681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).