4-(3-bromo-4-fluoro-2-hydroxyphenyl)butanoic acid

C10H10BrFO3 — CID 83904447

IUPAC4-(3-bromo-4-fluoro-2-hydroxyphenyl)butanoic acid
SMILESO=C(O)CCCc1ccc(F)c(Br)c1O
InChIInChI=1S/C10H10BrFO3/c11-9-7(12)5-4-6(10(9)15)2-1-3-8(13)14/h4-5,15H,1-3H2,(H,13,14)
InChIKeyZIYGDMBLWHXLQU-UHFFFAOYSA-N
MW277.09 g/mol
LogP2.70
Rot. Bonds4

About 4-(3-bromo-4-fluoro-2-hydroxyphenyl)butanoic acid

4-(3-bromo-4-fluoro-2-hydroxyphenyl)butanoic acid (PubChem CID 83904447) has the molecular formula C10H10BrFO3 and a molecular weight of 277.09 g/mol. Its IUPAC name is 4-(3-bromo-4-fluoro-2-hydroxyphenyl)butanoic acid.

Molecular Properties

Compound Name4-(3-bromo-4-fluoro-2-hydroxyphenyl)butanoic acid
PubChem CID83904447
Molecular FormulaC10H10BrFO3
Molecular Weight277.09 g/mol
Exact Mass275.98
IUPAC Name4-(3-bromo-4-fluoro-2-hydroxyphenyl)butanoic acid
SMILESO=C(O)CCCc1ccc(F)c(Br)c1O
InChIInChI=1S/C10H10BrFO3/c11-9-7(12)5-4-6(10(9)15)2-1-3-8(13)14/h4-5,15H,1-3H2,(H,13,14)
InChIKeyZIYGDMBLWHXLQU-UHFFFAOYSA-N
XLogP2.70
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.09
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromo-4-fluoro-2-hydroxyphenyl)acetic acid
CID 83900309
3-(3-bromo-2,4-difluorophenyl)propanoic acid
CID 84807517
4-(5-bromo-4-fluoro-2-hydroxyphenyl)butanoic acid
CID 83904474
4-(2-bromo-4-chloro-3-fluorophenyl)butanoic acid
CID 117476279
4-(2-fluoro-4-hydroxyphenyl)butanoic acid
CID 83699430
4-(5-bromo-2,3-difluoro-4-hydroxyphenyl)butanoic acid
CID 117475596
3-(3-bromo-2-hydroxy-4-methylphenyl)propanoic acid
CID 84709646
4-(2-fluoro-5-methylphenyl)butanoic acid
CID 83698985
4-(3-bromo-2-fluorophenyl)butanoic acid
CID 83735555
4-(2,3-difluorophenyl)butanoic acid
CID 59862325
4-(4-bromo-2-chloro-3-fluorophenyl)butanoic acid
CID 117476280
4-(3,5-difluoro-4-hydroxyphenyl)butanoic acid
CID 117307682

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-4-fluoro-2-hydroxyphenyl)butanoic acid?
The IUPAC name of 4-(3-bromo-4-fluoro-2-hydroxyphenyl)butanoic acid (CID 83904447) is 4-(3-bromo-4-fluoro-2-hydroxyphenyl)butanoic acid.
What is the SMILES notation for 4-(3-bromo-4-fluoro-2-hydroxyphenyl)butanoic acid?
The canonical SMILES for 4-(3-bromo-4-fluoro-2-hydroxyphenyl)butanoic acid is O=C(O)CCCc1ccc(F)c(Br)c1O.
What is the InChIKey of 4-(3-bromo-4-fluoro-2-hydroxyphenyl)butanoic acid?
The InChIKey is ZIYGDMBLWHXLQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrFO3/c11-9-7(12)5-4-6(10(9)15)2-1-3-8(13)14/h4-5,15H,1-3H2,(H,13,14).
What are the key properties of 4-(3-bromo-4-fluoro-2-hydroxyphenyl)butanoic acid?
4-(3-bromo-4-fluoro-2-hydroxyphenyl)butanoic acid has a molecular weight of 277.09 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromo-4-fluoro-2-hydroxyphenyl)butanoic acid is sourced from PubChem (CID 83904447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).