1-[1-[2-(4-fluorophenoxy)ethyl]indol-3-yl]ethanone

C18H16FNO2 — CID 1088558

IUPAC1-[1-[2-(4-fluorophenoxy)ethyl]indol-3-yl]ethanone
SMILESCC(=O)c1cn(CCOc2ccc(F)cc2)c2ccccc12
InChIInChI=1S/C18H16FNO2/c1-13(21)17-12-20(18-5-3-2-4-16(17)18)10-11-22-15-8-6-14(19)7-9-15/h2-9,12H,10-11H2,1H3
InChIKeyGYISCUNHPINNTD-UHFFFAOYSA-N
MW297.33 g/mol
LogP4.06
Rot. Bonds5

About 1-[1-[2-(4-fluorophenoxy)ethyl]indol-3-yl]ethanone

1-[1-[2-(4-fluorophenoxy)ethyl]indol-3-yl]ethanone (PubChem CID 1088558) has the molecular formula C18H16FNO2 and a molecular weight of 297.33 g/mol. Its IUPAC name is 1-[1-[2-(4-fluorophenoxy)ethyl]indol-3-yl]ethanone.

Molecular Properties

Compound Name1-[1-[2-(4-fluorophenoxy)ethyl]indol-3-yl]ethanone
PubChem CID1088558
Molecular FormulaC18H16FNO2
Molecular Weight297.33 g/mol
Exact Mass297.12
IUPAC Name1-[1-[2-(4-fluorophenoxy)ethyl]indol-3-yl]ethanone
SMILESCC(=O)c1cn(CCOc2ccc(F)cc2)c2ccccc12
InChIInChI=1S/C18H16FNO2/c1-13(21)17-12-20(18-5-3-2-4-16(17)18)10-11-22-15-8-6-14(19)7-9-15/h2-9,12H,10-11H2,1H3
InChIKeyGYISCUNHPINNTD-UHFFFAOYSA-N
XLogP4.06
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(4-fluorophenoxy)ethyl]indol-3-yl]ethanone?
The IUPAC name of 1-[1-[2-(4-fluorophenoxy)ethyl]indol-3-yl]ethanone (CID 1088558) is 1-[1-[2-(4-fluorophenoxy)ethyl]indol-3-yl]ethanone.
What is the SMILES notation for 1-[1-[2-(4-fluorophenoxy)ethyl]indol-3-yl]ethanone?
The canonical SMILES for 1-[1-[2-(4-fluorophenoxy)ethyl]indol-3-yl]ethanone is CC(=O)c1cn(CCOc2ccc(F)cc2)c2ccccc12.
What is the InChIKey of 1-[1-[2-(4-fluorophenoxy)ethyl]indol-3-yl]ethanone?
The InChIKey is GYISCUNHPINNTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNO2/c1-13(21)17-12-20(18-5-3-2-4-16(17)18)10-11-22-15-8-6-14(19)7-9-15/h2-9,12H,10-11H2,1H3.
What are the key properties of 1-[1-[2-(4-fluorophenoxy)ethyl]indol-3-yl]ethanone?
1-[1-[2-(4-fluorophenoxy)ethyl]indol-3-yl]ethanone has a molecular weight of 297.33 g/mol, XLogP of 4.06, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(4-fluorophenoxy)ethyl]indol-3-yl]ethanone is sourced from PubChem (CID 1088558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).