1-[2-(4-fluorophenyl)-4-methoxyphenyl]propan-1-one

C16H15FO2 — CID 174581854

IUPAC1-[2-(4-fluorophenyl)-4-methoxyphenyl]propan-1-one
SMILESCCC(=O)c1ccc(OC)cc1-c1ccc(F)cc1
InChIInChI=1S/C16H15FO2/c1-3-16(18)14-9-8-13(19-2)10-15(14)11-4-6-12(17)7-5-11/h4-10H,3H2,1-2H3
InChIKeyVGRUCWJKACRZIM-UHFFFAOYSA-N
MW258.29 g/mol
LogP4.09
Rot. Bonds4

About 1-[2-(4-fluorophenyl)-4-methoxyphenyl]propan-1-one

1-[2-(4-fluorophenyl)-4-methoxyphenyl]propan-1-one (PubChem CID 174581854) has the molecular formula C16H15FO2 and a molecular weight of 258.29 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)-4-methoxyphenyl]propan-1-one.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)-4-methoxyphenyl]propan-1-one
PubChem CID174581854
Molecular FormulaC16H15FO2
Molecular Weight258.29 g/mol
Exact Mass258.11
IUPAC Name1-[2-(4-fluorophenyl)-4-methoxyphenyl]propan-1-one
SMILESCCC(=O)c1ccc(OC)cc1-c1ccc(F)cc1
InChIInChI=1S/C16H15FO2/c1-3-16(18)14-9-8-13(19-2)10-15(14)11-4-6-12(17)7-5-11/h4-10H,3H2,1-2H3
InChIKeyVGRUCWJKACRZIM-UHFFFAOYSA-N
XLogP4.09
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.29
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluoro-5-methoxyphenyl)propan-1-one
CID 71322080
2-(4-fluorophenyl)-5-methoxybenzoic acid
CID 15461737
1-[2-(4-fluorophenyl)-5-methoxyphenyl]ethanone
CID 175647071
2-fluoro-1-(4-fluorophenyl)-4-methoxybenzene
CID 46312221
ethyl 4-(4-fluorophenyl)-6-(4-methoxyphenyl)pyridine-3-carboxylate
CID 132851457
1-[2-(3,4-difluorophenyl)-4-methoxyphenyl]ethanone
CID 139791589
1-(2,4-diphenylphenyl)propan-1-one
CID 151246876
1-[4-methoxy-2-(2-methoxyethoxy)phenyl]propan-1-one
CID 67337211
(5-methoxy-2-propanoylphenyl) thiohypochlorite
CID 155744576
1-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-fluorophenyl]propan-1-one
CID 174427298
(2-fluoro-4-methoxyphenyl)-(4-fluorophenyl)methanone
CID 22475212
2-[4-(2-carbamoyl-5-methoxyphenyl)phenoxy]acetic acid
CID 67924191

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)-4-methoxyphenyl]propan-1-one?
The IUPAC name of 1-[2-(4-fluorophenyl)-4-methoxyphenyl]propan-1-one (CID 174581854) is 1-[2-(4-fluorophenyl)-4-methoxyphenyl]propan-1-one.
What is the SMILES notation for 1-[2-(4-fluorophenyl)-4-methoxyphenyl]propan-1-one?
The canonical SMILES for 1-[2-(4-fluorophenyl)-4-methoxyphenyl]propan-1-one is CCC(=O)c1ccc(OC)cc1-c1ccc(F)cc1.
What is the InChIKey of 1-[2-(4-fluorophenyl)-4-methoxyphenyl]propan-1-one?
The InChIKey is VGRUCWJKACRZIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FO2/c1-3-16(18)14-9-8-13(19-2)10-15(14)11-4-6-12(17)7-5-11/h4-10H,3H2,1-2H3.
What are the key properties of 1-[2-(4-fluorophenyl)-4-methoxyphenyl]propan-1-one?
1-[2-(4-fluorophenyl)-4-methoxyphenyl]propan-1-one has a molecular weight of 258.29 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)-4-methoxyphenyl]propan-1-one is sourced from PubChem (CID 174581854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).