3-(2,5-difluoro-4-hydroxyphenyl)-2-methylpropanoic acid

C10H10F2O3 — CID 117307767

IUPAC3-(2,5-difluoro-4-hydroxyphenyl)-2-methylpropanoic acid
SMILESCC(Cc1cc(F)c(O)cc1F)C(=O)O
InChIInChI=1S/C10H10F2O3/c1-5(10(14)15)2-6-3-8(12)9(13)4-7(6)11/h3-5,13H,2H2,1H3,(H,14,15)
InChIKeyBFIGBSIRFNZBOE-UHFFFAOYSA-N
MW216.18 g/mol
LogP1.93
Rot. Bonds3

About 3-(2,5-difluoro-4-hydroxyphenyl)-2-methylpropanoic acid

3-(2,5-difluoro-4-hydroxyphenyl)-2-methylpropanoic acid (PubChem CID 117307767) has the molecular formula C10H10F2O3 and a molecular weight of 216.18 g/mol. Its IUPAC name is 3-(2,5-difluoro-4-hydroxyphenyl)-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(2,5-difluoro-4-hydroxyphenyl)-2-methylpropanoic acid
PubChem CID117307767
Molecular FormulaC10H10F2O3
Molecular Weight216.18 g/mol
Exact Mass216.06
IUPAC Name3-(2,5-difluoro-4-hydroxyphenyl)-2-methylpropanoic acid
SMILESCC(Cc1cc(F)c(O)cc1F)C(=O)O
InChIInChI=1S/C10H10F2O3/c1-5(10(14)15)2-6-3-8(12)9(13)4-7(6)11/h3-5,13H,2H2,1H3,(H,14,15)
InChIKeyBFIGBSIRFNZBOE-UHFFFAOYSA-N
XLogP1.93
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.18
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,4-difluoro-5-propan-2-ylphenyl)-2-methylpropanoic acid
CID 117357572
3-(5-fluoro-2,4-dimethylphenyl)-2-methylpropanoic acid
CID 84781211
3-(5-chloro-2-fluorophenyl)-2-methylpropanoic acid
CID 83402731
3-(2-hydroxy-4,5-dimethylphenyl)-2-methylpropanoic acid
CID 131600841
3-(4-chloro-2-hydroxyphenyl)-2-methylpropanoic acid
CID 131365879
2-amino-3-(2,5-difluoro-4-hydroxyphenyl)propanoic acid;sulfurofluoridic acid
CID 175511239
3-(2,3-difluoro-4-hydroxyphenyl)-2-methylpropanoic acid
CID 117307764
3-(3,5-difluoro-2-hydroxy-4-methylsulfonylphenyl)-2-methylpropanoic acid
CID 117474660
3-(2-fluoro-5-hydroxy-3-methylphenyl)-2-methylpropanoic acid
CID 117302913
3-(2-hydroxy-4-methylsulfanylphenyl)-2-methylpropanoic acid
CID 117325705
2-(2,5-difluoro-4-hydroxyphenyl)propanoic acid
CID 117290622
(2S)-2-amino-3-(2-fluoro-4,5-dihydroxyphenyl)propanoic acid;hydrate
CID 66764594

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-difluoro-4-hydroxyphenyl)-2-methylpropanoic acid?
The IUPAC name of 3-(2,5-difluoro-4-hydroxyphenyl)-2-methylpropanoic acid (CID 117307767) is 3-(2,5-difluoro-4-hydroxyphenyl)-2-methylpropanoic acid.
What is the SMILES notation for 3-(2,5-difluoro-4-hydroxyphenyl)-2-methylpropanoic acid?
The canonical SMILES for 3-(2,5-difluoro-4-hydroxyphenyl)-2-methylpropanoic acid is CC(Cc1cc(F)c(O)cc1F)C(=O)O.
What is the InChIKey of 3-(2,5-difluoro-4-hydroxyphenyl)-2-methylpropanoic acid?
The InChIKey is BFIGBSIRFNZBOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2O3/c1-5(10(14)15)2-6-3-8(12)9(13)4-7(6)11/h3-5,13H,2H2,1H3,(H,14,15).
What are the key properties of 3-(2,5-difluoro-4-hydroxyphenyl)-2-methylpropanoic acid?
3-(2,5-difluoro-4-hydroxyphenyl)-2-methylpropanoic acid has a molecular weight of 216.18 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-difluoro-4-hydroxyphenyl)-2-methylpropanoic acid is sourced from PubChem (CID 117307767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).