3-(2,5-difluorophenoxy)-2-phenylpropanoic acid

C15H12F2O3 — CID 63272958

IUPAC3-(2,5-difluorophenoxy)-2-phenylpropanoic acid
SMILESO=C(O)C(COc1cc(F)ccc1F)c1ccccc1
InChIInChI=1S/C15H12F2O3/c16-11-6-7-13(17)14(8-11)20-9-12(15(18)19)10-4-2-1-3-5-10/h1-8,12H,9H2,(H,18,19)
InChIKeyYVXDJCPJNHKADY-UHFFFAOYSA-N
MW278.25 g/mol
LogP3.21
Rot. Bonds5

About 3-(2,5-difluorophenoxy)-2-phenylpropanoic acid

3-(2,5-difluorophenoxy)-2-phenylpropanoic acid (PubChem CID 63272958) has the molecular formula C15H12F2O3 and a molecular weight of 278.25 g/mol. Its IUPAC name is 3-(2,5-difluorophenoxy)-2-phenylpropanoic acid.

Molecular Properties

Compound Name3-(2,5-difluorophenoxy)-2-phenylpropanoic acid
PubChem CID63272958
Molecular FormulaC15H12F2O3
Molecular Weight278.25 g/mol
Exact Mass278.08
IUPAC Name3-(2,5-difluorophenoxy)-2-phenylpropanoic acid
SMILESO=C(O)C(COc1cc(F)ccc1F)c1ccccc1
InChIInChI=1S/C15H12F2O3/c16-11-6-7-13(17)14(8-11)20-9-12(15(18)19)10-4-2-1-3-5-10/h1-8,12H,9H2,(H,18,19)
InChIKeyYVXDJCPJNHKADY-UHFFFAOYSA-N
XLogP3.21
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.25
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-fluorophenoxy)-2-(3-hydroxyphenyl)propanoic acid
CID 117243377
3-(2-fluorophenoxy)-2-(4-methylphenyl)propanoic acid
CID 117245170
3-(2-fluorophenoxy)-2-(3-methylphenyl)propanoic acid
CID 117243339
3-(2,5-difluorophenoxy)-2-ethoxypropanoic acid
CID 63272996
3-(3-chlorophenoxy)-2-(4-fluorophenyl)propanoic acid
CID 117245238
2-(cyclopropylamino)-3-(2,5-difluorophenoxy)propanoic acid
CID 55167943
2-(3-chlorophenyl)-3-(2-methoxyphenoxy)propanoic acid
CID 117243365
2-(3-fluorophenyl)-3-(4-methylphenoxy)propanoic acid
CID 117243463
(2S)-2-amino-2-[4-[(2,5-difluorophenoxy)methyl]phenyl]acetic acid
CID 66513242
3-(2-bromo-4-methoxyphenoxy)-2-phenylpropanoic acid
CID 104708587
1-(4-fluoro-3-methoxyphenyl)-2-phenylbutan-1-one
CID 146006844
3-(4-fluorophenoxy)-2-(3-methylphenyl)propanoic acid
CID 117243455

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-difluorophenoxy)-2-phenylpropanoic acid?
The IUPAC name of 3-(2,5-difluorophenoxy)-2-phenylpropanoic acid (CID 63272958) is 3-(2,5-difluorophenoxy)-2-phenylpropanoic acid.
What is the SMILES notation for 3-(2,5-difluorophenoxy)-2-phenylpropanoic acid?
The canonical SMILES for 3-(2,5-difluorophenoxy)-2-phenylpropanoic acid is O=C(O)C(COc1cc(F)ccc1F)c1ccccc1.
What is the InChIKey of 3-(2,5-difluorophenoxy)-2-phenylpropanoic acid?
The InChIKey is YVXDJCPJNHKADY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2O3/c16-11-6-7-13(17)14(8-11)20-9-12(15(18)19)10-4-2-1-3-5-10/h1-8,12H,9H2,(H,18,19).
What are the key properties of 3-(2,5-difluorophenoxy)-2-phenylpropanoic acid?
3-(2,5-difluorophenoxy)-2-phenylpropanoic acid has a molecular weight of 278.25 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-difluorophenoxy)-2-phenylpropanoic acid is sourced from PubChem (CID 63272958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).