2-(5-fluoro-2-hydroxy-3-methoxyphenyl)propanoic acid

C10H11FO4 — CID 117305116

IUPAC2-(5-fluoro-2-hydroxy-3-methoxyphenyl)propanoic acid
SMILESCOc1cc(F)cc(C(C)C(=O)O)c1O
InChIInChI=1S/C10H11FO4/c1-5(10(13)14)7-3-6(11)4-8(15-2)9(7)12/h3-5,12H,1-2H3,(H,13,14)
InChIKeyDDRZHCQIHIYAGB-UHFFFAOYSA-N
MW214.19 g/mol
LogP1.73
Rot. Bonds3

About 2-(5-fluoro-2-hydroxy-3-methoxyphenyl)propanoic acid

2-(5-fluoro-2-hydroxy-3-methoxyphenyl)propanoic acid (PubChem CID 117305116) has the molecular formula C10H11FO4 and a molecular weight of 214.19 g/mol. Its IUPAC name is 2-(5-fluoro-2-hydroxy-3-methoxyphenyl)propanoic acid.

Molecular Properties

Compound Name2-(5-fluoro-2-hydroxy-3-methoxyphenyl)propanoic acid
PubChem CID117305116
Molecular FormulaC10H11FO4
Molecular Weight214.19 g/mol
Exact Mass214.06
IUPAC Name2-(5-fluoro-2-hydroxy-3-methoxyphenyl)propanoic acid
SMILESCOc1cc(F)cc(C(C)C(=O)O)c1O
InChIInChI=1S/C10H11FO4/c1-5(10(13)14)7-3-6(11)4-8(15-2)9(7)12/h3-5,12H,1-2H3,(H,13,14)
InChIKeyDDRZHCQIHIYAGB-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-(5-fluoro-2-methoxyphenyl)propanoic acid
CID 79002336
2-(5-cyano-2-hydroxy-3-methoxyphenyl)propanoic acid
CID 117315216
2-(2-fluoro-5-hydroxy-4-methoxyphenyl)propanoic acid
CID 117305117
2-[(1R)-1-amino-2-fluoroethyl]-4-fluoro-6-methoxyphenol
CID 131154819
2-(2,5-dimethoxy-4-methylsulfanylphenyl)propanoic acid
CID 117394352
2-[(1R)-1-amino-2-hydroxyethyl]-4-fluoro-6-methoxyphenol
CID 66514040
2-(4,6-dimethoxy-3-pyridinyl)propanoic acid
CID 84781510
(2R)-2-(3-fluoro-4-methoxyphenyl)propanoic acid
CID 92983104
2-(4-chloro-2-fluoro-5-methoxyphenyl)propanoic acid
CID 83895316
2-(2-hydroxy-4-methoxy-5-methylphenyl)propanoic acid
CID 117300178
2-(2-fluoro-4-methoxy-5-propan-2-yloxyphenyl)propanoic acid
CID 117393928
2-(2,5-difluoro-3-methylsulfanylphenyl)propanoic acid
CID 117336105

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-hydroxy-3-methoxyphenyl)propanoic acid?
The IUPAC name of 2-(5-fluoro-2-hydroxy-3-methoxyphenyl)propanoic acid (CID 117305116) is 2-(5-fluoro-2-hydroxy-3-methoxyphenyl)propanoic acid.
What is the SMILES notation for 2-(5-fluoro-2-hydroxy-3-methoxyphenyl)propanoic acid?
The canonical SMILES for 2-(5-fluoro-2-hydroxy-3-methoxyphenyl)propanoic acid is COc1cc(F)cc(C(C)C(=O)O)c1O.
What is the InChIKey of 2-(5-fluoro-2-hydroxy-3-methoxyphenyl)propanoic acid?
The InChIKey is DDRZHCQIHIYAGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO4/c1-5(10(13)14)7-3-6(11)4-8(15-2)9(7)12/h3-5,12H,1-2H3,(H,13,14).
What are the key properties of 2-(5-fluoro-2-hydroxy-3-methoxyphenyl)propanoic acid?
2-(5-fluoro-2-hydroxy-3-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-(5-fluoro-2-hydroxy-3-methoxyphenyl)propanoic acid is sourced from PubChem (CID 117305116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).