2-(3-fluorophenyl)-3-(4-methylphenoxy)propanoic acid

C16H15FO3 — CID 117243463

IUPAC2-(3-fluorophenyl)-3-(4-methylphenoxy)propanoic acid
SMILESCc1ccc(OCC(C(=O)O)c2cccc(F)c2)cc1
InChIInChI=1S/C16H15FO3/c1-11-5-7-14(8-6-11)20-10-15(16(18)19)12-3-2-4-13(17)9-12/h2-9,15H,10H2,1H3,(H,18,19)
InChIKeyWBOQTNGCFDUFHO-UHFFFAOYSA-N
MW274.29 g/mol
LogP3.38
Rot. Bonds5

About 2-(3-fluorophenyl)-3-(4-methylphenoxy)propanoic acid

2-(3-fluorophenyl)-3-(4-methylphenoxy)propanoic acid (PubChem CID 117243463) has the molecular formula C16H15FO3 and a molecular weight of 274.29 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-3-(4-methylphenoxy)propanoic acid.

Molecular Properties

Compound Name2-(3-fluorophenyl)-3-(4-methylphenoxy)propanoic acid
PubChem CID117243463
Molecular FormulaC16H15FO3
Molecular Weight274.29 g/mol
Exact Mass274.10
IUPAC Name2-(3-fluorophenyl)-3-(4-methylphenoxy)propanoic acid
SMILESCc1ccc(OCC(C(=O)O)c2cccc(F)c2)cc1
InChIInChI=1S/C16H15FO3/c1-11-5-7-14(8-6-11)20-10-15(16(18)19)12-3-2-4-13(17)9-12/h2-9,15H,10H2,1H3,(H,18,19)
InChIKeyWBOQTNGCFDUFHO-UHFFFAOYSA-N
XLogP3.38
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-fluorophenoxy)-2-(3-methylphenyl)propanoic acid
CID 117243455
2-(3-fluorophenyl)-3-(4-methylphenoxy)propan-1-ol
CID 117243108
methyl 2-(3-fluorophenyl)-3-(4-methoxyphenoxy)propanoate
CID 117243479
methyl 2-(3-fluorophenyl)-3-(3-methylphenoxy)propanoate
CID 117243411
methyl 3-(4-chlorophenoxy)-2-(3-fluorophenyl)propanoate
CID 117243472
2-(3-methoxyphenyl)-3-phenoxypropanoic acid
CID 117243370
3-(3-methoxyphenoxy)-2-(4-methylphenyl)propanoic acid
CID 117245230
3-(4-chlorophenoxy)-2-(3-methoxyphenyl)propanoic acid
CID 117243488
3-(2-fluorophenoxy)-2-(3-methylphenyl)propanoic acid
CID 117243339
3-(2-bromo-5-methoxyphenyl)-2-(3-fluorophenyl)propanoic acid
CID 79431080
2-(5-methylfuran-2-yl)-3-(4-methylphenoxy)propanoic acid
CID 117241071
3-(5-fluoro-2-methylphenyl)-2-(3-fluorophenyl)propanoic acid
CID 105372523

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-3-(4-methylphenoxy)propanoic acid?
The IUPAC name of 2-(3-fluorophenyl)-3-(4-methylphenoxy)propanoic acid (CID 117243463) is 2-(3-fluorophenyl)-3-(4-methylphenoxy)propanoic acid.
What is the SMILES notation for 2-(3-fluorophenyl)-3-(4-methylphenoxy)propanoic acid?
The canonical SMILES for 2-(3-fluorophenyl)-3-(4-methylphenoxy)propanoic acid is Cc1ccc(OCC(C(=O)O)c2cccc(F)c2)cc1.
What is the InChIKey of 2-(3-fluorophenyl)-3-(4-methylphenoxy)propanoic acid?
The InChIKey is WBOQTNGCFDUFHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FO3/c1-11-5-7-14(8-6-11)20-10-15(16(18)19)12-3-2-4-13(17)9-12/h2-9,15H,10H2,1H3,(H,18,19).
What are the key properties of 2-(3-fluorophenyl)-3-(4-methylphenoxy)propanoic acid?
2-(3-fluorophenyl)-3-(4-methylphenoxy)propanoic acid has a molecular weight of 274.29 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-3-(4-methylphenoxy)propanoic acid is sourced from PubChem (CID 117243463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).