2-(3-bromo-2-fluoro-6-hydroxyphenyl)butanoic acid

C10H10BrFO3 — CID 84811131

IUPAC2-(3-bromo-2-fluoro-6-hydroxyphenyl)butanoic acid
SMILESCCC(C(=O)O)c1c(O)ccc(Br)c1F
InChIInChI=1S/C10H10BrFO3/c1-2-5(10(14)15)8-7(13)4-3-6(11)9(8)12/h3-5,13H,2H2,1H3,(H,14,15)
InChIKeyDOVPMQXHBSGUAA-UHFFFAOYSA-N
MW277.09 g/mol
LogP2.87
Rot. Bonds3

About 2-(3-bromo-2-fluoro-6-hydroxyphenyl)butanoic acid

2-(3-bromo-2-fluoro-6-hydroxyphenyl)butanoic acid (PubChem CID 84811131) has the molecular formula C10H10BrFO3 and a molecular weight of 277.09 g/mol. Its IUPAC name is 2-(3-bromo-2-fluoro-6-hydroxyphenyl)butanoic acid.

Molecular Properties

Compound Name2-(3-bromo-2-fluoro-6-hydroxyphenyl)butanoic acid
PubChem CID84811131
Molecular FormulaC10H10BrFO3
Molecular Weight277.09 g/mol
Exact Mass275.98
IUPAC Name2-(3-bromo-2-fluoro-6-hydroxyphenyl)butanoic acid
SMILESCCC(C(=O)O)c1c(O)ccc(Br)c1F
InChIInChI=1S/C10H10BrFO3/c1-2-5(10(14)15)8-7(13)4-3-6(11)9(8)12/h3-5,13H,2H2,1H3,(H,14,15)
InChIKeyDOVPMQXHBSGUAA-UHFFFAOYSA-N
XLogP2.87
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.09
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,6-dibromophenyl)butanoic acid
CID 130134758
2-(2-bromo-6-hydroxy-4-methylphenyl)butanoic acid
CID 84809964
2-(2,3,5,6-tetrafluorophenyl)butanoic acid
CID 130134734
2-(1-aminoethyl)-4-bromo-3-fluorophenol
CID 84697321
1-(3,6-dibromo-2-fluorophenyl)propan-1-ol
CID 118658154
2-(2-bromo-4,5-difluorophenyl)butanoic acid
CID 130134766
2-(4-bromo-3-fluoro-5-hydroxyphenyl)butanoic acid
CID 84811137
2-(4-bromo-2,5-difluorophenyl)butanoic acid
CID 84811511
(2R)-2-(4-bromophenyl)butanoic acid
CID 38988623
1-(3-bromo-2-fluoro-6-hydroxyphenyl)propan-2-one
CID 83900104
3-amino-2-(2,6-difluoro-3-hydroxyphenyl)propanoic acid
CID 84785065
2-(3-bromo-2-fluoro-6-iodophenyl)-2-hydroxyacetic acid
CID 171001373

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2-fluoro-6-hydroxyphenyl)butanoic acid?
The IUPAC name of 2-(3-bromo-2-fluoro-6-hydroxyphenyl)butanoic acid (CID 84811131) is 2-(3-bromo-2-fluoro-6-hydroxyphenyl)butanoic acid.
What is the SMILES notation for 2-(3-bromo-2-fluoro-6-hydroxyphenyl)butanoic acid?
The canonical SMILES for 2-(3-bromo-2-fluoro-6-hydroxyphenyl)butanoic acid is CCC(C(=O)O)c1c(O)ccc(Br)c1F.
What is the InChIKey of 2-(3-bromo-2-fluoro-6-hydroxyphenyl)butanoic acid?
The InChIKey is DOVPMQXHBSGUAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrFO3/c1-2-5(10(14)15)8-7(13)4-3-6(11)9(8)12/h3-5,13H,2H2,1H3,(H,14,15).
What are the key properties of 2-(3-bromo-2-fluoro-6-hydroxyphenyl)butanoic acid?
2-(3-bromo-2-fluoro-6-hydroxyphenyl)butanoic acid has a molecular weight of 277.09 g/mol, XLogP of 2.87, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-2-fluoro-6-hydroxyphenyl)butanoic acid is sourced from PubChem (CID 84811131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).