2-(3-fluorophenoxy)-3-methoxypropanoic acid

C10H11FO4 — CID 83704060

IUPAC2-(3-fluorophenoxy)-3-methoxypropanoic acid
SMILESCOCC(Oc1cccc(F)c1)C(=O)O
InChIInChI=1S/C10H11FO4/c1-14-6-9(10(12)13)15-8-4-2-3-7(11)5-8/h2-5,9H,6H2,1H3,(H,12,13)
InChIKeyUDXRGHFIRZGWAA-UHFFFAOYSA-N
MW214.19 g/mol
LogP1.30
Rot. Bonds5

About 2-(3-fluorophenoxy)-3-methoxypropanoic acid

2-(3-fluorophenoxy)-3-methoxypropanoic acid (PubChem CID 83704060) has the molecular formula C10H11FO4 and a molecular weight of 214.19 g/mol. Its IUPAC name is 2-(3-fluorophenoxy)-3-methoxypropanoic acid.

Molecular Properties

Compound Name2-(3-fluorophenoxy)-3-methoxypropanoic acid
PubChem CID83704060
Molecular FormulaC10H11FO4
Molecular Weight214.19 g/mol
Exact Mass214.06
IUPAC Name2-(3-fluorophenoxy)-3-methoxypropanoic acid
SMILESCOCC(Oc1cccc(F)c1)C(=O)O
InChIInChI=1S/C10H11FO4/c1-14-6-9(10(12)13)15-8-4-2-3-7(11)5-8/h2-5,9H,6H2,1H3,(H,12,13)
InChIKeyUDXRGHFIRZGWAA-UHFFFAOYSA-N
XLogP1.30
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.19
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-fluorophenoxy)-3-methoxypropanehydrazide
CID 103229222
2-(3-ethoxyphenoxy)-3-methoxypropanoic acid
CID 103224091
2-(2-bromo-4-fluorophenoxy)-3-methoxypropanoic acid
CID 103223956
2-(3,5-dichlorophenoxy)-3-methoxypropanoic acid
CID 69114724
3-methoxy-2-(4-propan-2-ylphenoxy)propanoic acid
CID 103223931
2-(3-fluorophenoxy)-N-(2-methoxyethyl)propanamide
CID 60675242
dimethyl 2-(3-fluorophenoxy)propanedioate
CID 94688000
2-(4-formylphenoxy)-3-methoxypropanoic acid
CID 103224047
3-methoxy-2-(2-methoxyphenoxy)propanoic acid
CID 103223945
2-[[2-(3-fluorophenoxy)acetyl]amino]-4-methoxybutanoic acid
CID 62478241
4-(3-fluorophenoxy)-2-(methylamino)butanoic acid
CID 63040093
2-amino-4-(3-fluorophenoxy)butanoic acid
CID 63039916

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenoxy)-3-methoxypropanoic acid?
The IUPAC name of 2-(3-fluorophenoxy)-3-methoxypropanoic acid (CID 83704060) is 2-(3-fluorophenoxy)-3-methoxypropanoic acid.
What is the SMILES notation for 2-(3-fluorophenoxy)-3-methoxypropanoic acid?
The canonical SMILES for 2-(3-fluorophenoxy)-3-methoxypropanoic acid is COCC(Oc1cccc(F)c1)C(=O)O.
What is the InChIKey of 2-(3-fluorophenoxy)-3-methoxypropanoic acid?
The InChIKey is UDXRGHFIRZGWAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO4/c1-14-6-9(10(12)13)15-8-4-2-3-7(11)5-8/h2-5,9H,6H2,1H3,(H,12,13).
What are the key properties of 2-(3-fluorophenoxy)-3-methoxypropanoic acid?
2-(3-fluorophenoxy)-3-methoxypropanoic acid has a molecular weight of 214.19 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenoxy)-3-methoxypropanoic acid is sourced from PubChem (CID 83704060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).