3-(4-fluorophenyl)-1-(4-methoxyphenyl)propan-1-one

C16H15FO2 — CID 11586950

IUPAC3-(4-fluorophenyl)-1-(4-methoxyphenyl)propan-1-one
SMILESCOc1ccc(C(=O)CCc2ccc(F)cc2)cc1
InChIInChI=1S/C16H15FO2/c1-19-15-9-5-13(6-10-15)16(18)11-4-12-2-7-14(17)8-3-12/h2-3,5-10H,4,11H2,1H3
InChIKeyRZSZPMGLWZECGV-UHFFFAOYSA-N
MW258.29 g/mol
LogP3.65
Rot. Bonds5

About 3-(4-fluorophenyl)-1-(4-methoxyphenyl)propan-1-one

3-(4-fluorophenyl)-1-(4-methoxyphenyl)propan-1-one (PubChem CID 11586950) has the molecular formula C16H15FO2 and a molecular weight of 258.29 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-1-(4-methoxyphenyl)propan-1-one.

Molecular Properties

Compound Name3-(4-fluorophenyl)-1-(4-methoxyphenyl)propan-1-one
PubChem CID11586950
Molecular FormulaC16H15FO2
Molecular Weight258.29 g/mol
Exact Mass258.11
IUPAC Name3-(4-fluorophenyl)-1-(4-methoxyphenyl)propan-1-one
SMILESCOc1ccc(C(=O)CCc2ccc(F)cc2)cc1
InChIInChI=1S/C16H15FO2/c1-19-15-9-5-13(6-10-15)16(18)11-4-12-2-7-14(17)8-3-12/h2-3,5-10H,4,11H2,1H3
InChIKeyRZSZPMGLWZECGV-UHFFFAOYSA-N
XLogP3.65
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.29
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-hydroxyphenyl)-1-(4-methoxyphenyl)propan-1-one
CID 23345320
1-(4-fluorophenyl)-2-[2-(4-methoxyphenyl)ethylamino]ethanone
CID 82101484
3-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)propan-1-one
CID 43625070
1-(4-fluoro-3-methoxyphenyl)-3-(4-methoxyphenyl)propan-1-one
CID 114974368
3-(4-fluorophenyl)-1-[4-[2-(4-methoxyphenyl)-2-oxoethyl]piperazin-1-yl]propan-1-one
CID 110611236
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate
CID 2371103
2-[(4-fluorophenyl)methyl-methylamino]-1-(4-methoxyphenyl)ethanone
CID 60650628
3-(4-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 18107472
1-(4-methoxyphenyl)-2-(4-propylphenyl)ethanone
CID 71380079
N'-[2-(4-fluorophenoxy)acetyl]-3-(4-methoxyphenyl)propanehydrazide
CID 26929871
1-(4-fluorophenyl)-3-[4-(2-hydroxyethyl)phenoxy]propan-1-one
CID 107709274
3-[(4-fluorophenyl)methylimino]-1-(4-methoxyphenyl)propan-1-one
CID 7119778

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-1-(4-methoxyphenyl)propan-1-one?
The IUPAC name of 3-(4-fluorophenyl)-1-(4-methoxyphenyl)propan-1-one (CID 11586950) is 3-(4-fluorophenyl)-1-(4-methoxyphenyl)propan-1-one.
What is the SMILES notation for 3-(4-fluorophenyl)-1-(4-methoxyphenyl)propan-1-one?
The canonical SMILES for 3-(4-fluorophenyl)-1-(4-methoxyphenyl)propan-1-one is COc1ccc(C(=O)CCc2ccc(F)cc2)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-1-(4-methoxyphenyl)propan-1-one?
The InChIKey is RZSZPMGLWZECGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FO2/c1-19-15-9-5-13(6-10-15)16(18)11-4-12-2-7-14(17)8-3-12/h2-3,5-10H,4,11H2,1H3.
What are the key properties of 3-(4-fluorophenyl)-1-(4-methoxyphenyl)propan-1-one?
3-(4-fluorophenyl)-1-(4-methoxyphenyl)propan-1-one has a molecular weight of 258.29 g/mol, XLogP of 3.65, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-1-(4-methoxyphenyl)propan-1-one is sourced from PubChem (CID 11586950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).