2-(3-fluoro-2,6-dimethoxyphenyl)propanoic acid

C11H13FO4 — CID 117328468

IUPAC2-(3-fluoro-2,6-dimethoxyphenyl)propanoic acid
SMILESCOc1ccc(F)c(OC)c1C(C)C(=O)O
InChIInChI=1S/C11H13FO4/c1-6(11(13)14)9-8(15-2)5-4-7(12)10(9)16-3/h4-6H,1-3H3,(H,13,14)
InChIKeyMLKKRRVBUURYLU-UHFFFAOYSA-N
MW228.22 g/mol
LogP2.03
Rot. Bonds4

About 2-(3-fluoro-2,6-dimethoxyphenyl)propanoic acid

2-(3-fluoro-2,6-dimethoxyphenyl)propanoic acid (PubChem CID 117328468) has the molecular formula C11H13FO4 and a molecular weight of 228.22 g/mol. Its IUPAC name is 2-(3-fluoro-2,6-dimethoxyphenyl)propanoic acid.

Molecular Properties

Compound Name2-(3-fluoro-2,6-dimethoxyphenyl)propanoic acid
PubChem CID117328468
Molecular FormulaC11H13FO4
Molecular Weight228.22 g/mol
Exact Mass228.08
IUPAC Name2-(3-fluoro-2,6-dimethoxyphenyl)propanoic acid
SMILESCOc1ccc(F)c(OC)c1C(C)C(=O)O
InChIInChI=1S/C11H13FO4/c1-6(11(13)14)9-8(15-2)5-4-7(12)10(9)16-3/h4-6H,1-3H3,(H,13,14)
InChIKeyMLKKRRVBUURYLU-UHFFFAOYSA-N
XLogP2.03
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.22
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6-fluoro-2,3-dimethoxyphenyl)propanoic acid
CID 117328473
2-(3-bromo-6-fluoro-2-methoxyphenyl)propanoic acid
CID 83904485
(2R)-2-(3-fluoro-4-methoxyphenyl)propanoic acid
CID 92983104
ethyl 2-(3-fluoro-2,6-dimethoxyphenyl)-2-hydroxyacetate
CID 117398829
3-(3-fluoro-2,6-dimethoxyphenyl)butan-1-amine
CID 117327116
2-(2-fluoro-4-hydroxy-6-methoxyphenyl)propanoic acid
CID 84783347
2-(3-chloro-4-fluoro-2-methoxyphenyl)propanoic acid
CID 117337131
1-(3,6-difluoro-2-methoxyphenyl)ethanol
CID 84661307
2-(1-carboxyethyl)-3-methoxybenzoic acid
CID 12962431
2-(5-fluoro-2-methoxyphenyl)propanoic acid
CID 79002336
3-amino-2-(3-fluoro-2-methoxy-6-methylphenyl)propanoic acid
CID 84691052
2-(3-bromo-2,4-dimethoxyphenyl)propanoic acid
CID 84814609

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-2,6-dimethoxyphenyl)propanoic acid?
The IUPAC name of 2-(3-fluoro-2,6-dimethoxyphenyl)propanoic acid (CID 117328468) is 2-(3-fluoro-2,6-dimethoxyphenyl)propanoic acid.
What is the SMILES notation for 2-(3-fluoro-2,6-dimethoxyphenyl)propanoic acid?
The canonical SMILES for 2-(3-fluoro-2,6-dimethoxyphenyl)propanoic acid is COc1ccc(F)c(OC)c1C(C)C(=O)O.
What is the InChIKey of 2-(3-fluoro-2,6-dimethoxyphenyl)propanoic acid?
The InChIKey is MLKKRRVBUURYLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO4/c1-6(11(13)14)9-8(15-2)5-4-7(12)10(9)16-3/h4-6H,1-3H3,(H,13,14).
What are the key properties of 2-(3-fluoro-2,6-dimethoxyphenyl)propanoic acid?
2-(3-fluoro-2,6-dimethoxyphenyl)propanoic acid has a molecular weight of 228.22 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-2,6-dimethoxyphenyl)propanoic acid is sourced from PubChem (CID 117328468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).