3-(3-chloro-5-fluoro-2,4-dihydroxyphenyl)propanoic acid

C9H8ClFO4 — CID 84797135

IUPAC3-(3-chloro-5-fluoro-2,4-dihydroxyphenyl)propanoic acid
SMILESO=C(O)CCc1cc(F)c(O)c(Cl)c1O
InChIInChI=1S/C9H8ClFO4/c10-7-8(14)4(1-2-6(12)13)3-5(11)9(7)15/h3,14-15H,1-2H2,(H,12,13)
InChIKeyQFPNYWGPUQHEHO-UHFFFAOYSA-N
MW234.61 g/mol
LogP1.91
Rot. Bonds3

About 3-(3-chloro-5-fluoro-2,4-dihydroxyphenyl)propanoic acid

3-(3-chloro-5-fluoro-2,4-dihydroxyphenyl)propanoic acid (PubChem CID 84797135) has the molecular formula C9H8ClFO4 and a molecular weight of 234.61 g/mol. Its IUPAC name is 3-(3-chloro-5-fluoro-2,4-dihydroxyphenyl)propanoic acid.

Molecular Properties

Compound Name3-(3-chloro-5-fluoro-2,4-dihydroxyphenyl)propanoic acid
PubChem CID84797135
Molecular FormulaC9H8ClFO4
Molecular Weight234.61 g/mol
Exact Mass234.01
IUPAC Name3-(3-chloro-5-fluoro-2,4-dihydroxyphenyl)propanoic acid
SMILESO=C(O)CCc1cc(F)c(O)c(Cl)c1O
InChIInChI=1S/C9H8ClFO4/c10-7-8(14)4(1-2-6(12)13)3-5(11)9(7)15/h3,14-15H,1-2H2,(H,12,13)
InChIKeyQFPNYWGPUQHEHO-UHFFFAOYSA-N
XLogP1.91
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.61
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-aminopropyl)-2-chloro-6-fluorobenzene-1,3-diol
CID 84787142
2-(3,4-dichloro-5-fluoro-2-hydroxyphenyl)acetic acid
CID 83898337
3-(3,5-dichloro-2-hydroxyphenyl)propanoic acid
CID 54270247
3-(2,5-dichloro-4-fluorophenyl)propanoic acid
CID 84699843
3-(4-chloro-5-fluoro-2-methylphenyl)propanoic acid
CID 84784993
3-(3-fluoro-4,5-dihydroxyphenyl)propanoic acid
CID 117289030
3-(2,4-difluoro-5-hydroxyphenyl)propanoic acid
CID 117290600
3-(5-chloro-4-fluoro-2-hydroxy-3-methoxyphenyl)propanoic acid
CID 84706671
3-(5-bromo-3-chloro-2-hydroxyphenyl)propanoic acid
CID 142920745
4-(7-chloro-6-hydroxy-1,3-benzodioxol-5-yl)butanoic acid
CID 117400199
3-(2-bromo-5-chloro-4-fluorophenyl)propanoic acid
CID 156859397
4-(5-chloro-6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)butanoic acid
CID 117434314

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-5-fluoro-2,4-dihydroxyphenyl)propanoic acid?
The IUPAC name of 3-(3-chloro-5-fluoro-2,4-dihydroxyphenyl)propanoic acid (CID 84797135) is 3-(3-chloro-5-fluoro-2,4-dihydroxyphenyl)propanoic acid.
What is the SMILES notation for 3-(3-chloro-5-fluoro-2,4-dihydroxyphenyl)propanoic acid?
The canonical SMILES for 3-(3-chloro-5-fluoro-2,4-dihydroxyphenyl)propanoic acid is O=C(O)CCc1cc(F)c(O)c(Cl)c1O.
What is the InChIKey of 3-(3-chloro-5-fluoro-2,4-dihydroxyphenyl)propanoic acid?
The InChIKey is QFPNYWGPUQHEHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClFO4/c10-7-8(14)4(1-2-6(12)13)3-5(11)9(7)15/h3,14-15H,1-2H2,(H,12,13).
What are the key properties of 3-(3-chloro-5-fluoro-2,4-dihydroxyphenyl)propanoic acid?
3-(3-chloro-5-fluoro-2,4-dihydroxyphenyl)propanoic acid has a molecular weight of 234.61 g/mol, XLogP of 1.91, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-5-fluoro-2,4-dihydroxyphenyl)propanoic acid is sourced from PubChem (CID 84797135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).