1-(3-fluoro-4-methoxyphenyl)-3-phenylpropan-1-one

C16H15FO2 — CID 43474033

IUPAC1-(3-fluoro-4-methoxyphenyl)-3-phenylpropan-1-one
SMILESCOc1ccc(C(=O)CCc2ccccc2)cc1F
InChIInChI=1S/C16H15FO2/c1-19-16-10-8-13(11-14(16)17)15(18)9-7-12-5-3-2-4-6-12/h2-6,8,10-11H,7,9H2,1H3
InChIKeyIJDIVFDBRCYHGB-UHFFFAOYSA-N
MW258.29 g/mol
LogP3.65
Rot. Bonds5

About 1-(3-fluoro-4-methoxyphenyl)-3-phenylpropan-1-one

1-(3-fluoro-4-methoxyphenyl)-3-phenylpropan-1-one (PubChem CID 43474033) has the molecular formula C16H15FO2 and a molecular weight of 258.29 g/mol. Its IUPAC name is 1-(3-fluoro-4-methoxyphenyl)-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-(3-fluoro-4-methoxyphenyl)-3-phenylpropan-1-one
PubChem CID43474033
Molecular FormulaC16H15FO2
Molecular Weight258.29 g/mol
Exact Mass258.11
IUPAC Name1-(3-fluoro-4-methoxyphenyl)-3-phenylpropan-1-one
SMILESCOc1ccc(C(=O)CCc2ccccc2)cc1F
InChIInChI=1S/C16H15FO2/c1-19-16-10-8-13(11-14(16)17)15(18)9-7-12-5-3-2-4-6-12/h2-6,8,10-11H,7,9H2,1H3
InChIKeyIJDIVFDBRCYHGB-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

1-(3-fluoro-4-methoxyphenyl)-3-[4-(trifluoromethyl)phenyl]propan-1-one
CID 53415618
1-(3-fluoro-4-methoxyphenyl)-3-(2-methylphenyl)propan-1-one
CID 91755550
1-(3-fluoro-4-methoxyphenyl)-2-phenylmethoxyethanone
CID 62030398
1-(3-fluoro-4-methoxyphenyl)-2-(3-methylphenyl)ethanone
CID 62389398
1-(4-bromo-3-fluorophenyl)-3-phenylpropan-1-one
CID 24725587
methyl 4-(3-fluoro-4-methoxyphenyl)-4-oxobutanoate
CID 65096259
1-(4-amino-3-fluorophenyl)-3-phenylpropan-1-one
CID 116547242
1-(4-fluoro-3-methoxyphenyl)-3-(4-methoxyphenyl)propan-1-one
CID 114974368
5-amino-1-(3-fluoro-4-methoxyphenyl)pentan-1-one
CID 116571948
3-(2,3-dichlorophenyl)-1-(3-fluoro-4-methoxyphenyl)propan-1-one
CID 53417192
1-(3-fluoro-4-methoxyphenyl)-3-(5-methylfuran-2-yl)propan-1-one
CID 53415620
N-[2-methoxy-5-(3-phenylpropanoyl)phenyl]-2-methylpropanamide
CID 147906172

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-3-phenylpropan-1-one?
The IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-3-phenylpropan-1-one (CID 43474033) is 1-(3-fluoro-4-methoxyphenyl)-3-phenylpropan-1-one.
What is the SMILES notation for 1-(3-fluoro-4-methoxyphenyl)-3-phenylpropan-1-one?
The canonical SMILES for 1-(3-fluoro-4-methoxyphenyl)-3-phenylpropan-1-one is COc1ccc(C(=O)CCc2ccccc2)cc1F.
What is the InChIKey of 1-(3-fluoro-4-methoxyphenyl)-3-phenylpropan-1-one?
The InChIKey is IJDIVFDBRCYHGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FO2/c1-19-16-10-8-13(11-14(16)17)15(18)9-7-12-5-3-2-4-6-12/h2-6,8,10-11H,7,9H2,1H3.
What are the key properties of 1-(3-fluoro-4-methoxyphenyl)-3-phenylpropan-1-one?
1-(3-fluoro-4-methoxyphenyl)-3-phenylpropan-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 1-(3-fluoro-4-methoxyphenyl)-3-phenylpropan-1-one is sourced from PubChem (CID 43474033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).