3-butyl-3-(4-fluorophenyl)-2H-inden-1-one

C19H19FO — CID 86051136

IUPAC3-butyl-3-(4-fluorophenyl)-2H-inden-1-one
SMILESCCCCC1(c2ccc(F)cc2)CC(=O)c2ccccc21
InChIInChI=1S/C19H19FO/c1-2-3-12-19(14-8-10-15(20)11-9-14)13-18(21)16-6-4-5-7-17(16)19/h4-11H,2-3,12-13H2,1H3
InChIKeyYORPGWGTCUXRPC-UHFFFAOYSA-N
MW282.36 g/mol
LogP4.89
Rot. Bonds4

About 3-butyl-3-(4-fluorophenyl)-2H-inden-1-one

3-butyl-3-(4-fluorophenyl)-2H-inden-1-one (PubChem CID 86051136) has the molecular formula C19H19FO and a molecular weight of 282.36 g/mol. Its IUPAC name is 3-butyl-3-(4-fluorophenyl)-2H-inden-1-one.

Molecular Properties

Compound Name3-butyl-3-(4-fluorophenyl)-2H-inden-1-one
PubChem CID86051136
Molecular FormulaC19H19FO
Molecular Weight282.36 g/mol
Exact Mass282.14
IUPAC Name3-butyl-3-(4-fluorophenyl)-2H-inden-1-one
SMILESCCCCC1(c2ccc(F)cc2)CC(=O)c2ccccc21
InChIInChI=1S/C19H19FO/c1-2-3-12-19(14-8-10-15(20)11-9-14)13-18(21)16-6-4-5-7-17(16)19/h4-11H,2-3,12-13H2,1H3
InChIKeyYORPGWGTCUXRPC-UHFFFAOYSA-N
XLogP4.89
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-fluoro-3-methyl-2H-inden-1-one
CID 122380797
[(1S)-1-butyl-2-methylidenecyclopropyl]benzene
CID 102163735
3-(4-ethylphenyl)-3-methyl-2H-inden-1-one
CID 132519091
(1R,2R,10R,11R)-1,2-bis(4-fluorophenyl)pentacyclo[9.7.0.02,10.03,8.013,18]octadeca-3,5,7,13,15,17-hexaene-9,12-dione
CID 139095972
9-(4-fluorophenyl)-9-methylfluorene
CID 71401006
ethane;pentane;spiro[anthracene-10,9'-fluorene]-9-one
CID 145141173
3-fluoro-3-heptyl-1H-quinoline-2,4-dione
CID 2784364
methyl 4-[[(1R)-1-butyl-3-oxo-2H-inden-1-yl]methyl]benzoate
CID 138977187
3,3-bis[4-(dibutylamino)phenyl]-2-benzofuran-1-one
CID 22292500
4-butyl-4-phenyl-2,3-dihydrochromene
CID 5169021
fluorobenzene;hexane
CID 158112243
2-heptyl-2-phenyl-3H-chromen-4-one
CID 174261212

Frequently Asked Questions

What is the IUPAC name of 3-butyl-3-(4-fluorophenyl)-2H-inden-1-one?
The IUPAC name of 3-butyl-3-(4-fluorophenyl)-2H-inden-1-one (CID 86051136) is 3-butyl-3-(4-fluorophenyl)-2H-inden-1-one.
What is the SMILES notation for 3-butyl-3-(4-fluorophenyl)-2H-inden-1-one?
The canonical SMILES for 3-butyl-3-(4-fluorophenyl)-2H-inden-1-one is CCCCC1(c2ccc(F)cc2)CC(=O)c2ccccc21.
What is the InChIKey of 3-butyl-3-(4-fluorophenyl)-2H-inden-1-one?
The InChIKey is YORPGWGTCUXRPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FO/c1-2-3-12-19(14-8-10-15(20)11-9-14)13-18(21)16-6-4-5-7-17(16)19/h4-11H,2-3,12-13H2,1H3.
What are the key properties of 3-butyl-3-(4-fluorophenyl)-2H-inden-1-one?
3-butyl-3-(4-fluorophenyl)-2H-inden-1-one has a molecular weight of 282.36 g/mol, XLogP of 4.89, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-3-(4-fluorophenyl)-2H-inden-1-one is sourced from PubChem (CID 86051136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).