2-(2-bromo-4-fluorophenoxy)-3-methoxypropanoic acid

C10H10BrFO4 — CID 103223956

IUPAC2-(2-bromo-4-fluorophenoxy)-3-methoxypropanoic acid
SMILESCOCC(Oc1ccc(F)cc1Br)C(=O)O
InChIInChI=1S/C10H10BrFO4/c1-15-5-9(10(13)14)16-8-3-2-6(12)4-7(8)11/h2-4,9H,5H2,1H3,(H,13,14)
InChIKeySEMSFCXFZXGRLJ-UHFFFAOYSA-N
MW293.09 g/mol
LogP2.07
Rot. Bonds5

About 2-(2-bromo-4-fluorophenoxy)-3-methoxypropanoic acid

2-(2-bromo-4-fluorophenoxy)-3-methoxypropanoic acid (PubChem CID 103223956) has the molecular formula C10H10BrFO4 and a molecular weight of 293.09 g/mol. Its IUPAC name is 2-(2-bromo-4-fluorophenoxy)-3-methoxypropanoic acid.

Molecular Properties

Compound Name2-(2-bromo-4-fluorophenoxy)-3-methoxypropanoic acid
PubChem CID103223956
Molecular FormulaC10H10BrFO4
Molecular Weight293.09 g/mol
Exact Mass291.97
IUPAC Name2-(2-bromo-4-fluorophenoxy)-3-methoxypropanoic acid
SMILESCOCC(Oc1ccc(F)cc1Br)C(=O)O
InChIInChI=1S/C10H10BrFO4/c1-15-5-9(10(13)14)16-8-3-2-6(12)4-7(8)11/h2-4,9H,5H2,1H3,(H,13,14)
InChIKeySEMSFCXFZXGRLJ-UHFFFAOYSA-N
XLogP2.07
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.09
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-fluorophenoxy)-3-methoxypropanoic acid
CID 83704060
3-methoxy-2-(2-methoxyphenoxy)propanoic acid
CID 103223945
2-(4-cyano-2-fluorophenoxy)-3-methoxypropanoic acid
CID 107670033
(2R)-2-(2-bromo-4-fluorophenoxy)-1-phenylpropan-1-one
CID 94185693
2-(2-bromo-4-methoxyphenoxy)-3-methoxypropanehydrazide
CID 103229405
3-bromo-4-(1-carboxypropoxy)benzoic acid
CID 64662563
2-(2-chloro-4-fluorophenoxy)-3-methoxypropanehydrazide
CID 103229273
(2-bromo-4-fluorophenyl) butanoate
CID 537734
4-(2-bromo-4-fluorophenoxy)butan-2-one
CID 60666649
3-amino-2-(2,5-difluorophenoxy)propanoic acid
CID 64695247
2-(2,5-difluorophenoxy)-3-methoxypropanehydrazide
CID 103229333
2-(2-bromophenoxy)butanoic acid
CID 18786119

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-fluorophenoxy)-3-methoxypropanoic acid?
The IUPAC name of 2-(2-bromo-4-fluorophenoxy)-3-methoxypropanoic acid (CID 103223956) is 2-(2-bromo-4-fluorophenoxy)-3-methoxypropanoic acid.
What is the SMILES notation for 2-(2-bromo-4-fluorophenoxy)-3-methoxypropanoic acid?
The canonical SMILES for 2-(2-bromo-4-fluorophenoxy)-3-methoxypropanoic acid is COCC(Oc1ccc(F)cc1Br)C(=O)O.
What is the InChIKey of 2-(2-bromo-4-fluorophenoxy)-3-methoxypropanoic acid?
The InChIKey is SEMSFCXFZXGRLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrFO4/c1-15-5-9(10(13)14)16-8-3-2-6(12)4-7(8)11/h2-4,9H,5H2,1H3,(H,13,14).
What are the key properties of 2-(2-bromo-4-fluorophenoxy)-3-methoxypropanoic acid?
2-(2-bromo-4-fluorophenoxy)-3-methoxypropanoic acid has a molecular weight of 293.09 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-fluorophenoxy)-3-methoxypropanoic acid is sourced from PubChem (CID 103223956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).