methyl 2-[3-(4-(18F)fluorophenoxy)phenyl]propanoate

C16H15FO3 — CID 146168284

IUPACmethyl 2-[3-(4-(18F)fluorophenoxy)phenyl]propanoate
SMILESCOC(=O)C(C)c1cccc(Oc2ccc([18F])cc2)c1
InChIInChI=1S/C16H15FO3/c1-11(16(18)19-2)12-4-3-5-15(10-12)20-14-8-6-13(17)7-9-14/h3-11H,1-2H3/i17-1
InChIKeyBXLXGGOYRMVAPL-SJPDSGJFSA-N
MW273.29 g/mol
LogP3.89
Rot. Bonds4

About methyl 2-[3-(4-(18F)fluorophenoxy)phenyl]propanoate

methyl 2-[3-(4-(18F)fluorophenoxy)phenyl]propanoate (PubChem CID 146168284) has the molecular formula C16H15FO3 and a molecular weight of 273.29 g/mol. Its IUPAC name is methyl 2-[3-(4-(18F)fluorophenoxy)phenyl]propanoate.

Molecular Properties

Compound Namemethyl 2-[3-(4-(18F)fluorophenoxy)phenyl]propanoate
PubChem CID146168284
Molecular FormulaC16H15FO3
Molecular Weight273.29 g/mol
Exact Mass273.10
IUPAC Namemethyl 2-[3-(4-(18F)fluorophenoxy)phenyl]propanoate
SMILESCOC(=O)C(C)c1cccc(Oc2ccc([18F])cc2)c1
InChIInChI=1S/C16H15FO3/c1-11(16(18)19-2)12-4-3-5-15(10-12)20-14-8-6-13(17)7-9-14/h3-11H,1-2H3/i17-1
InChIKeyBXLXGGOYRMVAPL-SJPDSGJFSA-N
XLogP3.89
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Fenoprofen
CID 3342
Fenoprofen Calcium
CID 64747
Anisyl phenylacetate
CID 7599
(3-Methoxyphenyl)acetic acid
CID 15719
3-Tolyl phenylacetate
CID 67146
3-(3-methoxyphenyl)-6-methyl-2H-chromen-2-one
CID 44622873
3-Phenoxyphenylacetic acid
CID 141749
2-(4-Phenoxyphenyl)propanoic acid
CID 527817
3-[4-(2-Ethylbutoxy)phenyl]-3-phenylpropanoic acid
CID 16738034
3-[4-(2-Methylbutoxy)phenyl]-3-phenylpropanoic acid
CID 16747701
(2S,3R)-3-cyclopropyl-3-[3-[[4-(2-fluoro-5-methoxyphenyl)cyclohexyl]methoxy]phenyl]-2-methylpropanoic acid
CID 134465732
(3S)-3-cyclopropyl-3-[3-[[4-(2-fluoro-5-methoxyphenyl)cyclohexyl]methoxy]phenyl]propanoic acid
CID 134465785

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-(4-(18F)fluorophenoxy)phenyl]propanoate?
The IUPAC name of methyl 2-[3-(4-(18F)fluorophenoxy)phenyl]propanoate (CID 146168284) is methyl 2-[3-(4-(18F)fluorophenoxy)phenyl]propanoate.
What is the SMILES notation for methyl 2-[3-(4-(18F)fluorophenoxy)phenyl]propanoate?
The canonical SMILES for methyl 2-[3-(4-(18F)fluorophenoxy)phenyl]propanoate is COC(=O)C(C)c1cccc(Oc2ccc([18F])cc2)c1.
What is the InChIKey of methyl 2-[3-(4-(18F)fluorophenoxy)phenyl]propanoate?
The InChIKey is BXLXGGOYRMVAPL-SJPDSGJFSA-N. The full InChI is InChI=1S/C16H15FO3/c1-11(16(18)19-2)12-4-3-5-15(10-12)20-14-8-6-13(17)7-9-14/h3-11H,1-2H3/i17-1.
What are the key properties of methyl 2-[3-(4-(18F)fluorophenoxy)phenyl]propanoate?
methyl 2-[3-(4-(18F)fluorophenoxy)phenyl]propanoate has a molecular weight of 273.29 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-(4-(18F)fluorophenoxy)phenyl]propanoate is sourced from PubChem (CID 146168284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).