2-(3-bromo-6-fluoro-2-methoxyphenyl)propanoic acid

C10H10BrFO3 — CID 83904485

IUPAC2-(3-bromo-6-fluoro-2-methoxyphenyl)propanoic acid
SMILESCOc1c(Br)ccc(F)c1C(C)C(=O)O
InChIInChI=1S/C10H10BrFO3/c1-5(10(13)14)8-7(12)4-3-6(11)9(8)15-2/h3-5H,1-2H3,(H,13,14)
InChIKeyGEHUOPURPPMEAU-UHFFFAOYSA-N
MW277.09 g/mol
LogP2.78
Rot. Bonds3

About 2-(3-bromo-6-fluoro-2-methoxyphenyl)propanoic acid

2-(3-bromo-6-fluoro-2-methoxyphenyl)propanoic acid (PubChem CID 83904485) has the molecular formula C10H10BrFO3 and a molecular weight of 277.09 g/mol. Its IUPAC name is 2-(3-bromo-6-fluoro-2-methoxyphenyl)propanoic acid.

Molecular Properties

Compound Name2-(3-bromo-6-fluoro-2-methoxyphenyl)propanoic acid
PubChem CID83904485
Molecular FormulaC10H10BrFO3
Molecular Weight277.09 g/mol
Exact Mass275.98
IUPAC Name2-(3-bromo-6-fluoro-2-methoxyphenyl)propanoic acid
SMILESCOc1c(Br)ccc(F)c1C(C)C(=O)O
InChIInChI=1S/C10H10BrFO3/c1-5(10(13)14)8-7(12)4-3-6(11)9(8)15-2/h3-5H,1-2H3,(H,13,14)
InChIKeyGEHUOPURPPMEAU-UHFFFAOYSA-N
XLogP2.78
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.09
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(6-fluoro-2,3-dimethoxyphenyl)propanoic acid
CID 117328473
2-(3-fluoro-2,6-dimethoxyphenyl)propanoic acid
CID 117328468
1-(6-bromo-3-fluoro-2-methoxyphenyl)ethanol
CID 84706864
1-bromo-4-fluoro-2,3-dimethoxybenzene
CID 58420229
2-(6-fluoro-2,3-dihydroxyphenyl)propanoic acid
CID 117289034
2-(6-bromo-3-methoxy-2,4-dimethylphenyl)propanoic acid
CID 117463086
2-(3-chloro-4-fluoro-2-methoxyphenyl)propanoic acid
CID 117337131
1-bromo-4-fluoro-2-methoxy-3-propan-2-yloxybenzene
CID 155293778
2-(2,6-difluoro-3-methylsulfanylphenyl)propanoic acid
CID 117336107
2-(2,6-difluoro-3-propan-2-ylphenyl)propanoic acid
CID 117328561
2-(6-chloro-2,3-difluorophenyl)propanoic acid
CID 130512139
3-(4-bromo-3-fluoro-2-methoxyphenyl)-2-methylpropanoic acid
CID 117470123

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-6-fluoro-2-methoxyphenyl)propanoic acid?
The IUPAC name of 2-(3-bromo-6-fluoro-2-methoxyphenyl)propanoic acid (CID 83904485) is 2-(3-bromo-6-fluoro-2-methoxyphenyl)propanoic acid.
What is the SMILES notation for 2-(3-bromo-6-fluoro-2-methoxyphenyl)propanoic acid?
The canonical SMILES for 2-(3-bromo-6-fluoro-2-methoxyphenyl)propanoic acid is COc1c(Br)ccc(F)c1C(C)C(=O)O.
What is the InChIKey of 2-(3-bromo-6-fluoro-2-methoxyphenyl)propanoic acid?
The InChIKey is GEHUOPURPPMEAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrFO3/c1-5(10(13)14)8-7(12)4-3-6(11)9(8)15-2/h3-5H,1-2H3,(H,13,14).
What are the key properties of 2-(3-bromo-6-fluoro-2-methoxyphenyl)propanoic acid?
2-(3-bromo-6-fluoro-2-methoxyphenyl)propanoic acid has a molecular weight of 277.09 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-6-fluoro-2-methoxyphenyl)propanoic acid is sourced from PubChem (CID 83904485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).