1-(4-butylphenyl)-2-(2-fluorophenyl)ethanone

C18H19FO — CID 43337843

IUPAC1-(4-butylphenyl)-2-(2-fluorophenyl)ethanone
SMILESCCCCc1ccc(C(=O)Cc2ccccc2F)cc1
InChIInChI=1S/C18H19FO/c1-2-3-6-14-9-11-15(12-10-14)18(20)13-16-7-4-5-8-17(16)19/h4-5,7-12H,2-3,6,13H2,1H3
InChIKeyWUUJAVVVKQKOHJ-UHFFFAOYSA-N
MW270.35 g/mol
LogP4.59
Rot. Bonds6

About 1-(4-butylphenyl)-2-(2-fluorophenyl)ethanone

1-(4-butylphenyl)-2-(2-fluorophenyl)ethanone (PubChem CID 43337843) has the molecular formula C18H19FO and a molecular weight of 270.35 g/mol. Its IUPAC name is 1-(4-butylphenyl)-2-(2-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-(4-butylphenyl)-2-(2-fluorophenyl)ethanone
PubChem CID43337843
Molecular FormulaC18H19FO
Molecular Weight270.35 g/mol
Exact Mass270.14
IUPAC Name1-(4-butylphenyl)-2-(2-fluorophenyl)ethanone
SMILESCCCCc1ccc(C(=O)Cc2ccccc2F)cc1
InChIInChI=1S/C18H19FO/c1-2-3-6-14-9-11-15(12-10-14)18(20)13-16-7-4-5-8-17(16)19/h4-5,7-12H,2-3,6,13H2,1H3
InChIKeyWUUJAVVVKQKOHJ-UHFFFAOYSA-N
XLogP4.59
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-fluorophenyl)-1-(4-propylphenyl)ethanone
CID 43338005
2-(4-butylphenyl)-1-[4-[2-(4-butylphenyl)acetyl]phenyl]ethanone
CID 58311916
N-(4-butylphenyl)-2-(2-fluorophenyl)acetamide
CID 100635724
1-(4-butylphenyl)-2-hydroxyethanone
CID 95436919
butylbenzene;carbonic acid
CID 158278492
1-(4-butylphenyl)-2-sulfanylethanone
CID 94681416
N'-(4-butylphenyl)-N-[(2-fluorophenyl)methyl]oxamide
CID 108502509
1-[4-(2-aminoethyl)phenyl]-2-(2,3-difluorophenyl)ethanone
CID 116577788
2-(4-butylphenyl)-1-(4-methoxyphenyl)ethanone
CID 86085296
1-(4-butylphenyl)-3-methylbutan-1-one
CID 43160107
2-(4-methylphenyl)-1-(4-octylphenyl)ethanone
CID 101090157
1-[2-bromo-2-(4-butylphenyl)ethyl]-2-fluorobenzene
CID 63440261

Frequently Asked Questions

What is the IUPAC name of 1-(4-butylphenyl)-2-(2-fluorophenyl)ethanone?
The IUPAC name of 1-(4-butylphenyl)-2-(2-fluorophenyl)ethanone (CID 43337843) is 1-(4-butylphenyl)-2-(2-fluorophenyl)ethanone.
What is the SMILES notation for 1-(4-butylphenyl)-2-(2-fluorophenyl)ethanone?
The canonical SMILES for 1-(4-butylphenyl)-2-(2-fluorophenyl)ethanone is CCCCc1ccc(C(=O)Cc2ccccc2F)cc1.
What is the InChIKey of 1-(4-butylphenyl)-2-(2-fluorophenyl)ethanone?
The InChIKey is WUUJAVVVKQKOHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FO/c1-2-3-6-14-9-11-15(12-10-14)18(20)13-16-7-4-5-8-17(16)19/h4-5,7-12H,2-3,6,13H2,1H3.
What are the key properties of 1-(4-butylphenyl)-2-(2-fluorophenyl)ethanone?
1-(4-butylphenyl)-2-(2-fluorophenyl)ethanone has a molecular weight of 270.35 g/mol, XLogP of 4.59, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butylphenyl)-2-(2-fluorophenyl)ethanone is sourced from PubChem (CID 43337843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).