1-[1-[2-(2-fluorophenoxy)ethyl]indol-3-yl]propan-1-one

C19H18FNO2 — CID 955241

IUPAC1-[1-[2-(2-fluorophenoxy)ethyl]indol-3-yl]propan-1-one
SMILESCCC(=O)c1cn(CCOc2ccccc2F)c2ccccc12
InChIInChI=1S/C19H18FNO2/c1-2-18(22)15-13-21(17-9-5-3-7-14(15)17)11-12-23-19-10-6-4-8-16(19)20/h3-10,13H,2,11-12H2,1H3
InChIKeyBMUJXYAAYVLEBA-UHFFFAOYSA-N
MW311.36 g/mol
LogP4.45
Rot. Bonds6

About 1-[1-[2-(2-fluorophenoxy)ethyl]indol-3-yl]propan-1-one

1-[1-[2-(2-fluorophenoxy)ethyl]indol-3-yl]propan-1-one (PubChem CID 955241) has the molecular formula C19H18FNO2 and a molecular weight of 311.36 g/mol. Its IUPAC name is 1-[1-[2-(2-fluorophenoxy)ethyl]indol-3-yl]propan-1-one.

Molecular Properties

Compound Name1-[1-[2-(2-fluorophenoxy)ethyl]indol-3-yl]propan-1-one
PubChem CID955241
Molecular FormulaC19H18FNO2
Molecular Weight311.36 g/mol
Exact Mass311.13
IUPAC Name1-[1-[2-(2-fluorophenoxy)ethyl]indol-3-yl]propan-1-one
SMILESCCC(=O)c1cn(CCOc2ccccc2F)c2ccccc12
InChIInChI=1S/C19H18FNO2/c1-2-18(22)15-13-21(17-9-5-3-7-14(15)17)11-12-23-19-10-6-4-8-16(19)20/h3-10,13H,2,11-12H2,1H3
InChIKeyBMUJXYAAYVLEBA-UHFFFAOYSA-N
XLogP4.45
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[2-(2-fluorophenoxy)ethyl]indol-3-yl]-2-oxoacetamide
CID 3161660
1-[1-(2-phenoxyethyl)indol-3-yl]propan-1-one
CID 955267
1-[1-[(4-fluorophenyl)methyl]indol-3-yl]propan-1-one
CID 955251
2,2-dimethyl-1-[1-(2-naphthalen-1-yloxyethyl)indol-3-yl]propan-1-one
CID 3965058
N-(2-fluorophenyl)-2-(3-propanoylindol-1-yl)acetamide
CID 955255
[1-[2-(4-tert-butylphenoxy)ethyl]indol-3-yl]-(2-fluorophenyl)methanone
CID 4269954
(5Z)-3-ethyl-5-[[1-[2-(2-fluorophenoxy)ethyl]indol-3-yl]methylidene]-2-sulfanylideneimidazolidin-4-one
CID 44714089
2-(2-chlorophenoxy)-1-(1-ethylindol-3-yl)ethanone
CID 21380764
[1-[3-(2-methylphenoxy)propyl]indol-3-yl]-phenylmethanone
CID 4524878
2,2-dimethyl-1-[1-[3-(2-methylphenoxy)propyl]indol-3-yl]propan-1-one
CID 4320218
1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]propan-1-one
CID 58967722
[1-[2-(2-chlorophenoxy)ethyl]indol-3-yl]-thiophen-2-ylmethanone
CID 1292806

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(2-fluorophenoxy)ethyl]indol-3-yl]propan-1-one?
The IUPAC name of 1-[1-[2-(2-fluorophenoxy)ethyl]indol-3-yl]propan-1-one (CID 955241) is 1-[1-[2-(2-fluorophenoxy)ethyl]indol-3-yl]propan-1-one.
What is the SMILES notation for 1-[1-[2-(2-fluorophenoxy)ethyl]indol-3-yl]propan-1-one?
The canonical SMILES for 1-[1-[2-(2-fluorophenoxy)ethyl]indol-3-yl]propan-1-one is CCC(=O)c1cn(CCOc2ccccc2F)c2ccccc12.
What is the InChIKey of 1-[1-[2-(2-fluorophenoxy)ethyl]indol-3-yl]propan-1-one?
The InChIKey is BMUJXYAAYVLEBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FNO2/c1-2-18(22)15-13-21(17-9-5-3-7-14(15)17)11-12-23-19-10-6-4-8-16(19)20/h3-10,13H,2,11-12H2,1H3.
What are the key properties of 1-[1-[2-(2-fluorophenoxy)ethyl]indol-3-yl]propan-1-one?
1-[1-[2-(2-fluorophenoxy)ethyl]indol-3-yl]propan-1-one has a molecular weight of 311.36 g/mol, XLogP of 4.45, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(2-fluorophenoxy)ethyl]indol-3-yl]propan-1-one is sourced from PubChem (CID 955241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).