3-(2,5-difluorophenyl)-3-(4-hydroxyphenyl)propanoic acid

C15H12F2O3 — CID 68691047

IUPAC3-(2,5-difluorophenyl)-3-(4-hydroxyphenyl)propanoic acid
SMILESO=C(O)CC(c1ccc(O)cc1)c1cc(F)ccc1F
InChIInChI=1S/C15H12F2O3/c16-10-3-6-14(17)13(7-10)12(8-15(19)20)9-1-4-11(18)5-2-9/h1-7,12,18H,8H2,(H,19,20)
InChIKeyNEIPPFPVMMQDNE-UHFFFAOYSA-N
MW278.25 g/mol
LogP3.28
Rot. Bonds4

About 3-(2,5-difluorophenyl)-3-(4-hydroxyphenyl)propanoic acid

3-(2,5-difluorophenyl)-3-(4-hydroxyphenyl)propanoic acid (PubChem CID 68691047) has the molecular formula C15H12F2O3 and a molecular weight of 278.25 g/mol. Its IUPAC name is 3-(2,5-difluorophenyl)-3-(4-hydroxyphenyl)propanoic acid.

Molecular Properties

Compound Name3-(2,5-difluorophenyl)-3-(4-hydroxyphenyl)propanoic acid
PubChem CID68691047
Molecular FormulaC15H12F2O3
Molecular Weight278.25 g/mol
Exact Mass278.08
IUPAC Name3-(2,5-difluorophenyl)-3-(4-hydroxyphenyl)propanoic acid
SMILESO=C(O)CC(c1ccc(O)cc1)c1cc(F)ccc1F
InChIInChI=1S/C15H12F2O3/c16-10-3-6-14(17)13(7-10)12(8-15(19)20)9-1-4-11(18)5-2-9/h1-7,12,18H,8H2,(H,19,20)
InChIKeyNEIPPFPVMMQDNE-UHFFFAOYSA-N
XLogP3.28
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.25
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-amino-3-(2-fluoro-5-hydroxyphenyl)propanoic acid
CID 55270420
(3S)-3-amino-3-(5-fluoro-2-hydroxyphenyl)propanoic acid;hydrochloride
CID 162344213
(3S)-3-amino-3-[5-(2,4-difluorophenyl)-2-fluorophenyl]propanoic acid
CID 135366913
3-amino-3-(3,5-difluoro-2-hydroxyphenyl)propanoic acid
CID 53417356
3-[4-fluoro-3-(4-hydroxyphenyl)phenyl]butanoic acid
CID 82543299
3-(2,5-difluorophenyl)-3-piperidin-1-ylpropanoic acid
CID 64527801
3-[5-(difluoromethyl)-2-fluorophenyl]butanoic acid
CID 84695361
5-(2,5-difluorophenyl)-5-hydroxypentanoic acid
CID 43117843
4-(2,5-difluorophenyl)-4-hydroxy-3-(2-hydroxyethylamino)butanoic acid
CID 82349399
3-amino-3-[3-(2,4-difluorophenyl)-4-methylphenyl]propanoic acid
CID 135367196
(2S)-2-(2,5-difluorophenyl)propanoic acid
CID 93182242
(3R)-3-(4-fluorophenyl)-3-hydroxypropanoic acid
CID 89304540

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-difluorophenyl)-3-(4-hydroxyphenyl)propanoic acid?
The IUPAC name of 3-(2,5-difluorophenyl)-3-(4-hydroxyphenyl)propanoic acid (CID 68691047) is 3-(2,5-difluorophenyl)-3-(4-hydroxyphenyl)propanoic acid.
What is the SMILES notation for 3-(2,5-difluorophenyl)-3-(4-hydroxyphenyl)propanoic acid?
The canonical SMILES for 3-(2,5-difluorophenyl)-3-(4-hydroxyphenyl)propanoic acid is O=C(O)CC(c1ccc(O)cc1)c1cc(F)ccc1F.
What is the InChIKey of 3-(2,5-difluorophenyl)-3-(4-hydroxyphenyl)propanoic acid?
The InChIKey is NEIPPFPVMMQDNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2O3/c16-10-3-6-14(17)13(7-10)12(8-15(19)20)9-1-4-11(18)5-2-9/h1-7,12,18H,8H2,(H,19,20).
What are the key properties of 3-(2,5-difluorophenyl)-3-(4-hydroxyphenyl)propanoic acid?
3-(2,5-difluorophenyl)-3-(4-hydroxyphenyl)propanoic acid has a molecular weight of 278.25 g/mol, XLogP of 3.28, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-difluorophenyl)-3-(4-hydroxyphenyl)propanoic acid is sourced from PubChem (CID 68691047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).