3-(2-fluorophenoxy)-2-(4-methylphenyl)propanoic acid

C16H15FO3 — CID 117245170

IUPAC3-(2-fluorophenoxy)-2-(4-methylphenyl)propanoic acid
SMILESCc1ccc(C(COc2ccccc2F)C(=O)O)cc1
InChIInChI=1S/C16H15FO3/c1-11-6-8-12(9-7-11)13(16(18)19)10-20-15-5-3-2-4-14(15)17/h2-9,13H,10H2,1H3,(H,18,19)
InChIKeyHLFUPYITYWERIY-UHFFFAOYSA-N
MW274.29 g/mol
LogP3.38
Rot. Bonds5

About 3-(2-fluorophenoxy)-2-(4-methylphenyl)propanoic acid

3-(2-fluorophenoxy)-2-(4-methylphenyl)propanoic acid (PubChem CID 117245170) has the molecular formula C16H15FO3 and a molecular weight of 274.29 g/mol. Its IUPAC name is 3-(2-fluorophenoxy)-2-(4-methylphenyl)propanoic acid.

Molecular Properties

Compound Name3-(2-fluorophenoxy)-2-(4-methylphenyl)propanoic acid
PubChem CID117245170
Molecular FormulaC16H15FO3
Molecular Weight274.29 g/mol
Exact Mass274.10
IUPAC Name3-(2-fluorophenoxy)-2-(4-methylphenyl)propanoic acid
SMILESCc1ccc(C(COc2ccccc2F)C(=O)O)cc1
InChIInChI=1S/C16H15FO3/c1-11-6-8-12(9-7-11)13(16(18)19)10-20-15-5-3-2-4-14(15)17/h2-9,13H,10H2,1H3,(H,18,19)
InChIKeyHLFUPYITYWERIY-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-(2-fluorophenoxy)-2-(3-methylphenyl)propanoic acid
CID 117243339
3-(2,5-difluorophenoxy)-2-phenylpropanoic acid
CID 63272958
3-(2-fluorophenoxy)-2-(3-hydroxyphenyl)propanoic acid
CID 117243377
3-(3-methoxyphenoxy)-2-(4-methylphenyl)propanoic acid
CID 117245230
2-(3-fluorophenyl)-3-(4-methylphenoxy)propanoic acid
CID 117243463
2-cyclopropyl-3-(2-fluorophenoxy)propanoic acid
CID 117245498
2-(2-fluorophenoxy)ethyl 4-methylbenzoate
CID 2363713
methyl 3-(2-fluorophenoxy)-2-thiophen-2-ylpropanoate
CID 117240970
3-(4-fluorophenoxy)-2-(3-methylphenyl)propanoic acid
CID 117243455
4,4-difluoro-2-(4-methylphenyl)butanoic acid
CID 79436339
2-fluoro-3-(2-fluorophenoxy)propan-1-amine
CID 105442441
3-ethoxy-2-(4-fluorophenyl)propanoic acid
CID 103984158

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenoxy)-2-(4-methylphenyl)propanoic acid?
The IUPAC name of 3-(2-fluorophenoxy)-2-(4-methylphenyl)propanoic acid (CID 117245170) is 3-(2-fluorophenoxy)-2-(4-methylphenyl)propanoic acid.
What is the SMILES notation for 3-(2-fluorophenoxy)-2-(4-methylphenyl)propanoic acid?
The canonical SMILES for 3-(2-fluorophenoxy)-2-(4-methylphenyl)propanoic acid is Cc1ccc(C(COc2ccccc2F)C(=O)O)cc1.
What is the InChIKey of 3-(2-fluorophenoxy)-2-(4-methylphenyl)propanoic acid?
The InChIKey is HLFUPYITYWERIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FO3/c1-11-6-8-12(9-7-11)13(16(18)19)10-20-15-5-3-2-4-14(15)17/h2-9,13H,10H2,1H3,(H,18,19).
What are the key properties of 3-(2-fluorophenoxy)-2-(4-methylphenyl)propanoic acid?
3-(2-fluorophenoxy)-2-(4-methylphenyl)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 3-(2-fluorophenoxy)-2-(4-methylphenyl)propanoic acid is sourced from PubChem (CID 117245170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).