ethyl 2-(3-fluorophenyl)-2-(2-pyrrol-1-ylphenoxy)acetate

C20H18FNO3 — CID 10806992

IUPACethyl 2-(3-fluorophenyl)-2-(2-pyrrol-1-ylphenoxy)acetate
SMILESCCOC(=O)C(Oc1ccccc1-n1cccc1)c1cccc(F)c1
InChIInChI=1S/C20H18FNO3/c1-2-24-20(23)19(15-8-7-9-16(21)14-15)25-18-11-4-3-10-17(18)22-12-5-6-13-22/h3-14,19H,2H2,1H3
InChIKeyMJOIXZGSHXAKCE-UHFFFAOYSA-N
MW339.37 g/mol
LogP4.30
Rot. Bonds6

About ethyl 2-(3-fluorophenyl)-2-(2-pyrrol-1-ylphenoxy)acetate

ethyl 2-(3-fluorophenyl)-2-(2-pyrrol-1-ylphenoxy)acetate (PubChem CID 10806992) has the molecular formula C20H18FNO3 and a molecular weight of 339.37 g/mol. Its IUPAC name is ethyl 2-(3-fluorophenyl)-2-(2-pyrrol-1-ylphenoxy)acetate.

Molecular Properties

Compound Nameethyl 2-(3-fluorophenyl)-2-(2-pyrrol-1-ylphenoxy)acetate
PubChem CID10806992
Molecular FormulaC20H18FNO3
Molecular Weight339.37 g/mol
Exact Mass339.13
IUPAC Nameethyl 2-(3-fluorophenyl)-2-(2-pyrrol-1-ylphenoxy)acetate
SMILESCCOC(=O)C(Oc1ccccc1-n1cccc1)c1cccc(F)c1
InChIInChI=1S/C20H18FNO3/c1-2-24-20(23)19(15-8-7-9-16(21)14-15)25-18-11-4-3-10-17(18)22-12-5-6-13-22/h3-14,19H,2H2,1H3
InChIKeyMJOIXZGSHXAKCE-UHFFFAOYSA-N
XLogP4.30
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-fluorophenyl)-2-(2-pyrrol-1-ylphenoxy)acetate?
The IUPAC name of ethyl 2-(3-fluorophenyl)-2-(2-pyrrol-1-ylphenoxy)acetate (CID 10806992) is ethyl 2-(3-fluorophenyl)-2-(2-pyrrol-1-ylphenoxy)acetate.
What is the SMILES notation for ethyl 2-(3-fluorophenyl)-2-(2-pyrrol-1-ylphenoxy)acetate?
The canonical SMILES for ethyl 2-(3-fluorophenyl)-2-(2-pyrrol-1-ylphenoxy)acetate is CCOC(=O)C(Oc1ccccc1-n1cccc1)c1cccc(F)c1.
What is the InChIKey of ethyl 2-(3-fluorophenyl)-2-(2-pyrrol-1-ylphenoxy)acetate?
The InChIKey is MJOIXZGSHXAKCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FNO3/c1-2-24-20(23)19(15-8-7-9-16(21)14-15)25-18-11-4-3-10-17(18)22-12-5-6-13-22/h3-14,19H,2H2,1H3.
What are the key properties of ethyl 2-(3-fluorophenyl)-2-(2-pyrrol-1-ylphenoxy)acetate?
ethyl 2-(3-fluorophenyl)-2-(2-pyrrol-1-ylphenoxy)acetate has a molecular weight of 339.37 g/mol, XLogP of 4.30, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-fluorophenyl)-2-(2-pyrrol-1-ylphenoxy)acetate is sourced from PubChem (CID 10806992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).