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

C9H8F2O3 — CID 117290600

IUPAC3-(2,4-difluoro-5-hydroxyphenyl)propanoic acid
SMILESO=C(O)CCc1cc(O)c(F)cc1F
InChIInChI=1S/C9H8F2O3/c10-6-4-7(11)8(12)3-5(6)1-2-9(13)14/h3-4,12H,1-2H2,(H,13,14)
InChIKeyMIRAUGCCZFCZLT-UHFFFAOYSA-N
MW202.16 g/mol
LogP1.69
Rot. Bonds3

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

3-(2,4-difluoro-5-hydroxyphenyl)propanoic acid (PubChem CID 117290600) has the molecular formula C9H8F2O3 and a molecular weight of 202.16 g/mol. Its IUPAC name is 3-(2,4-difluoro-5-hydroxyphenyl)propanoic acid.

Molecular Properties

Compound Name3-(2,4-difluoro-5-hydroxyphenyl)propanoic acid
PubChem CID117290600
Molecular FormulaC9H8F2O3
Molecular Weight202.16 g/mol
Exact Mass202.04
IUPAC Name3-(2,4-difluoro-5-hydroxyphenyl)propanoic acid
SMILESO=C(O)CCc1cc(O)c(F)cc1F
InChIInChI=1S/C9H8F2O3/c10-6-4-7(11)8(12)3-5(6)1-2-9(13)14/h3-4,12H,1-2H2,(H,13,14)
InChIKeyMIRAUGCCZFCZLT-UHFFFAOYSA-N
XLogP1.69
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.16
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-fluoro-5-hydroxy-2-methoxyphenyl)propanoic acid
CID 117304993
3-(2,4-difluorophenyl)propanoic acid;hydrochloride
CID 175907360
3-(2-fluoro-5-methylphenyl)propanoic acid
CID 46737563
3-(2-fluoro-4-iodophenyl)propanoic acid
CID 91883071
3-(3-fluoro-4,5-dihydroxyphenyl)propanoic acid
CID 117289030
3-(3-chloro-5-fluoro-2,4-dihydroxyphenyl)propanoic acid
CID 84797135
3-(2-fluorophenyl)propanoic acid
CID 2063866
3-(2,4-difluoro-6-hydroxyphenyl)propanoic acid
CID 84776661
3-(2,5-dichloro-4-fluorophenyl)propanoic acid
CID 84699843
3-(2-fluoro-5-methoxyphenyl)propanoic acid
CID 83402634
3-[5-(fluoromethyl)-2-hydroxyphenyl]propanoic acid
CID 84668107
4-(2-fluoro-4-hydroxyphenyl)butanoic acid
CID 83699430

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-difluoro-5-hydroxyphenyl)propanoic acid?
The IUPAC name of 3-(2,4-difluoro-5-hydroxyphenyl)propanoic acid (CID 117290600) is 3-(2,4-difluoro-5-hydroxyphenyl)propanoic acid.
What is the SMILES notation for 3-(2,4-difluoro-5-hydroxyphenyl)propanoic acid?
The canonical SMILES for 3-(2,4-difluoro-5-hydroxyphenyl)propanoic acid is O=C(O)CCc1cc(O)c(F)cc1F.
What is the InChIKey of 3-(2,4-difluoro-5-hydroxyphenyl)propanoic acid?
The InChIKey is MIRAUGCCZFCZLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2O3/c10-6-4-7(11)8(12)3-5(6)1-2-9(13)14/h3-4,12H,1-2H2,(H,13,14).
What are the key properties of 3-(2,4-difluoro-5-hydroxyphenyl)propanoic acid?
3-(2,4-difluoro-5-hydroxyphenyl)propanoic acid has a molecular weight of 202.16 g/mol, XLogP of 1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-difluoro-5-hydroxyphenyl)propanoic acid is sourced from PubChem (CID 117290600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).