2-(2-fluorophenyl)-1-[3-(2-methylpropyl)phenyl]ethanone

C18H19FO — CID 116543144

IUPAC2-(2-fluorophenyl)-1-[3-(2-methylpropyl)phenyl]ethanone
SMILESCC(C)Cc1cccc(C(=O)Cc2ccccc2F)c1
InChIInChI=1S/C18H19FO/c1-13(2)10-14-6-5-8-16(11-14)18(20)12-15-7-3-4-9-17(15)19/h3-9,11,13H,10,12H2,1-2H3
InChIKeySTZADEZUTBKYGN-UHFFFAOYSA-N
MW270.35 g/mol
LogP4.45
Rot. Bonds5

About 2-(2-fluorophenyl)-1-[3-(2-methylpropyl)phenyl]ethanone

2-(2-fluorophenyl)-1-[3-(2-methylpropyl)phenyl]ethanone (PubChem CID 116543144) has the molecular formula C18H19FO and a molecular weight of 270.35 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-1-[3-(2-methylpropyl)phenyl]ethanone.

Molecular Properties

Compound Name2-(2-fluorophenyl)-1-[3-(2-methylpropyl)phenyl]ethanone
PubChem CID116543144
Molecular FormulaC18H19FO
Molecular Weight270.35 g/mol
Exact Mass270.14
IUPAC Name2-(2-fluorophenyl)-1-[3-(2-methylpropyl)phenyl]ethanone
SMILESCC(C)Cc1cccc(C(=O)Cc2ccccc2F)c1
InChIInChI=1S/C18H19FO/c1-13(2)10-14-6-5-8-16(11-14)18(20)12-15-7-3-4-9-17(15)19/h3-9,11,13H,10,12H2,1-2H3
InChIKeySTZADEZUTBKYGN-UHFFFAOYSA-N
XLogP4.45
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-fluorophenyl)sulfanyl-1-[3-(2-methylpropyl)phenyl]ethanone
CID 116543307
(2,6-difluorophenyl)-[3-(2-methylpropyl)phenyl]methanone
CID 116543370
2-(2-methoxyphenyl)-1-[3-(2-methylpropyl)phenyl]ethanone
CID 116543131
2-(2,6-dichlorophenyl)-1-[3-(2-methylpropyl)phenyl]ethanone
CID 116543159
1-[3-(2-methylpropyl)phenyl]-2-methylsulfonylethanone
CID 115812316
3-(2-methylpropyl)benzamide
CID 23130390
1-[3-(2-methylpropyl)phenyl]-2-phenylsulfanylethanone
CID 116543260
fluoro 3-(2-methylpropyl)benzoate
CID 176661814
3-amino-4-methyl-1-[3-(2-methylpropyl)phenyl]pentan-1-one
CID 116606467
1-[3-(2-methylpropyl)phenyl]hexan-1-one
CID 115812383
3-methoxy-1-[3-(2-methylpropyl)phenyl]propan-1-one
CID 116543141
[3-(2-methylpropyl)phenyl]-(2,3,4-trifluorophenyl)methanone
CID 115812361

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-1-[3-(2-methylpropyl)phenyl]ethanone?
The IUPAC name of 2-(2-fluorophenyl)-1-[3-(2-methylpropyl)phenyl]ethanone (CID 116543144) is 2-(2-fluorophenyl)-1-[3-(2-methylpropyl)phenyl]ethanone.
What is the SMILES notation for 2-(2-fluorophenyl)-1-[3-(2-methylpropyl)phenyl]ethanone?
The canonical SMILES for 2-(2-fluorophenyl)-1-[3-(2-methylpropyl)phenyl]ethanone is CC(C)Cc1cccc(C(=O)Cc2ccccc2F)c1.
What is the InChIKey of 2-(2-fluorophenyl)-1-[3-(2-methylpropyl)phenyl]ethanone?
The InChIKey is STZADEZUTBKYGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FO/c1-13(2)10-14-6-5-8-16(11-14)18(20)12-15-7-3-4-9-17(15)19/h3-9,11,13H,10,12H2,1-2H3.
What are the key properties of 2-(2-fluorophenyl)-1-[3-(2-methylpropyl)phenyl]ethanone?
2-(2-fluorophenyl)-1-[3-(2-methylpropyl)phenyl]ethanone has a molecular weight of 270.35 g/mol, XLogP of 4.45, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-1-[3-(2-methylpropyl)phenyl]ethanone is sourced from PubChem (CID 116543144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).