2-(2-fluoro-4-hydroxy-6-methoxyphenyl)propanoic acid

C10H11FO4 — CID 84783347

IUPAC2-(2-fluoro-4-hydroxy-6-methoxyphenyl)propanoic acid
SMILESCOc1cc(O)cc(F)c1C(C)C(=O)O
InChIInChI=1S/C10H11FO4/c1-5(10(13)14)9-7(11)3-6(12)4-8(9)15-2/h3-5,12H,1-2H3,(H,13,14)
InChIKeyZCJCSDWGECUZND-UHFFFAOYSA-N
MW214.19 g/mol
LogP1.73
Rot. Bonds3

About 2-(2-fluoro-4-hydroxy-6-methoxyphenyl)propanoic acid

2-(2-fluoro-4-hydroxy-6-methoxyphenyl)propanoic acid (PubChem CID 84783347) has the molecular formula C10H11FO4 and a molecular weight of 214.19 g/mol. Its IUPAC name is 2-(2-fluoro-4-hydroxy-6-methoxyphenyl)propanoic acid.

Molecular Properties

Compound Name2-(2-fluoro-4-hydroxy-6-methoxyphenyl)propanoic acid
PubChem CID84783347
Molecular FormulaC10H11FO4
Molecular Weight214.19 g/mol
Exact Mass214.06
IUPAC Name2-(2-fluoro-4-hydroxy-6-methoxyphenyl)propanoic acid
SMILESCOc1cc(O)cc(F)c1C(C)C(=O)O
InChIInChI=1S/C10H11FO4/c1-5(10(13)14)9-7(11)3-6(12)4-8(9)15-2/h3-5,12H,1-2H3,(H,13,14)
InChIKeyZCJCSDWGECUZND-UHFFFAOYSA-N
XLogP1.73
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.19
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-fluoro-5-hydroxy-4-methoxyphenyl)propanoic acid
CID 117305117
2-(6-fluoro-2,3-dimethoxyphenyl)propanoic acid
CID 117328473
2-(3-fluoro-2,6-dimethoxyphenyl)propanoic acid
CID 117328468
(2R)-2-(3-fluoro-4-methoxyphenyl)propanoic acid
CID 92983104
1-(2-fluoro-4-hydroxy-6-methoxyphenyl)ethanone
CID 84769280
2-(5-fluoro-2-hydroxy-3-methoxyphenyl)propanoic acid
CID 117305116
2-(2-hydroxy-4-methoxy-3,6-dimethylphenyl)propanoic acid
CID 117321884
2-(2,3,5,6-tetrafluorophenyl)propanoic acid
CID 117317414
3-fluoro-5-methoxy-4-methylphenol
CID 84650327
2-(4-chloro-2-fluoro-5-methoxyphenyl)propanoic acid
CID 83895316
4-[(1S)-1-aminoethyl]-3,5-dimethoxyphenol;hydrochloride
CID 171221934
2-(2-fluoro-4,6-dimethylphenyl)propanoic acid
CID 84773931

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-4-hydroxy-6-methoxyphenyl)propanoic acid?
The IUPAC name of 2-(2-fluoro-4-hydroxy-6-methoxyphenyl)propanoic acid (CID 84783347) is 2-(2-fluoro-4-hydroxy-6-methoxyphenyl)propanoic acid.
What is the SMILES notation for 2-(2-fluoro-4-hydroxy-6-methoxyphenyl)propanoic acid?
The canonical SMILES for 2-(2-fluoro-4-hydroxy-6-methoxyphenyl)propanoic acid is COc1cc(O)cc(F)c1C(C)C(=O)O.
What is the InChIKey of 2-(2-fluoro-4-hydroxy-6-methoxyphenyl)propanoic acid?
The InChIKey is ZCJCSDWGECUZND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO4/c1-5(10(13)14)9-7(11)3-6(12)4-8(9)15-2/h3-5,12H,1-2H3,(H,13,14).
What are the key properties of 2-(2-fluoro-4-hydroxy-6-methoxyphenyl)propanoic acid?
2-(2-fluoro-4-hydroxy-6-methoxyphenyl)propanoic acid has a molecular weight of 214.19 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-4-hydroxy-6-methoxyphenyl)propanoic acid is sourced from PubChem (CID 84783347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).