3-(2-fluorophenoxy)-2-(3-hydroxyphenyl)propanoic acid

C15H13FO4 — CID 117243377

IUPAC3-(2-fluorophenoxy)-2-(3-hydroxyphenyl)propanoic acid
SMILESO=C(O)C(COc1ccccc1F)c1cccc(O)c1
InChIInChI=1S/C15H13FO4/c16-13-6-1-2-7-14(13)20-9-12(15(18)19)10-4-3-5-11(17)8-10/h1-8,12,17H,9H2,(H,18,19)
InChIKeyIFNUWRDLHIJCIY-UHFFFAOYSA-N
MW276.26 g/mol
LogP2.78
Rot. Bonds5

About 3-(2-fluorophenoxy)-2-(3-hydroxyphenyl)propanoic acid

3-(2-fluorophenoxy)-2-(3-hydroxyphenyl)propanoic acid (PubChem CID 117243377) has the molecular formula C15H13FO4 and a molecular weight of 276.26 g/mol. Its IUPAC name is 3-(2-fluorophenoxy)-2-(3-hydroxyphenyl)propanoic acid.

Molecular Properties

Compound Name3-(2-fluorophenoxy)-2-(3-hydroxyphenyl)propanoic acid
PubChem CID117243377
Molecular FormulaC15H13FO4
Molecular Weight276.26 g/mol
Exact Mass276.08
IUPAC Name3-(2-fluorophenoxy)-2-(3-hydroxyphenyl)propanoic acid
SMILESO=C(O)C(COc1ccccc1F)c1cccc(O)c1
InChIInChI=1S/C15H13FO4/c16-13-6-1-2-7-14(13)20-9-12(15(18)19)10-4-3-5-11(17)8-10/h1-8,12,17H,9H2,(H,18,19)
InChIKeyIFNUWRDLHIJCIY-UHFFFAOYSA-N
XLogP2.78
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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-(4-methylphenyl)propanoic acid
CID 117245170
3-(3-chlorophenoxy)-2-(3-hydroxyphenyl)propanoic acid
CID 117243432
2-(3-chlorophenyl)-3-(2-methoxyphenoxy)propanoic acid
CID 117243365
3-(2-hydroxyphenoxy)-2-(3-methoxyphenyl)propanoic acid
CID 117243386
2-(3-hydroxyphenyl)-3-(2-methoxyphenyl)propanoic acid
CID 83951203
3-(2-butoxyphenyl)-2-(3-hydroxyphenyl)propanoic acid
CID 83954502
3-(4-fluorophenoxy)-2-(3-methylphenyl)propanoic acid
CID 117243455
2-(2-fluorophenoxy)-1-phenylethanamine
CID 16782769
2-(3-hydroxyphenyl)-3-(methylamino)propanoic acid
CID 117243248
2-cyclopropyl-3-(2-fluorophenoxy)propanoic acid
CID 117245498

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenoxy)-2-(3-hydroxyphenyl)propanoic acid?
The IUPAC name of 3-(2-fluorophenoxy)-2-(3-hydroxyphenyl)propanoic acid (CID 117243377) is 3-(2-fluorophenoxy)-2-(3-hydroxyphenyl)propanoic acid.
What is the SMILES notation for 3-(2-fluorophenoxy)-2-(3-hydroxyphenyl)propanoic acid?
The canonical SMILES for 3-(2-fluorophenoxy)-2-(3-hydroxyphenyl)propanoic acid is O=C(O)C(COc1ccccc1F)c1cccc(O)c1.
What is the InChIKey of 3-(2-fluorophenoxy)-2-(3-hydroxyphenyl)propanoic acid?
The InChIKey is IFNUWRDLHIJCIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FO4/c16-13-6-1-2-7-14(13)20-9-12(15(18)19)10-4-3-5-11(17)8-10/h1-8,12,17H,9H2,(H,18,19).
What are the key properties of 3-(2-fluorophenoxy)-2-(3-hydroxyphenyl)propanoic acid?
3-(2-fluorophenoxy)-2-(3-hydroxyphenyl)propanoic acid has a molecular weight of 276.26 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenoxy)-2-(3-hydroxyphenyl)propanoic acid is sourced from PubChem (CID 117243377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).