4-(5-bromo-4-fluoro-2-hydroxyphenyl)butanoic acid

C10H10BrFO3 — CID 83904474

IUPAC4-(5-bromo-4-fluoro-2-hydroxyphenyl)butanoic acid
SMILESO=C(O)CCCc1cc(Br)c(F)cc1O
InChIInChI=1S/C10H10BrFO3/c11-7-4-6(2-1-3-10(14)15)9(13)5-8(7)12/h4-5,13H,1-3H2,(H,14,15)
InChIKeyJFRSSCWNVULAHM-UHFFFAOYSA-N
MW277.09 g/mol
LogP2.70
Rot. Bonds4

About 4-(5-bromo-4-fluoro-2-hydroxyphenyl)butanoic acid

4-(5-bromo-4-fluoro-2-hydroxyphenyl)butanoic acid (PubChem CID 83904474) has the molecular formula C10H10BrFO3 and a molecular weight of 277.09 g/mol. Its IUPAC name is 4-(5-bromo-4-fluoro-2-hydroxyphenyl)butanoic acid.

Molecular Properties

Compound Name4-(5-bromo-4-fluoro-2-hydroxyphenyl)butanoic acid
PubChem CID83904474
Molecular FormulaC10H10BrFO3
Molecular Weight277.09 g/mol
Exact Mass275.98
IUPAC Name4-(5-bromo-4-fluoro-2-hydroxyphenyl)butanoic acid
SMILESO=C(O)CCCc1cc(Br)c(F)cc1O
InChIInChI=1S/C10H10BrFO3/c11-7-4-6(2-1-3-10(14)15)9(13)5-8(7)12/h4-5,13H,1-3H2,(H,14,15)
InChIKeyJFRSSCWNVULAHM-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-(5-bromo-4-fluoro-2-hydroxyphenyl)acetic acid
CID 83900317
2-(3-aminopropyl)-4-bromo-5-fluorophenol
CID 83900240
4-(5-bromo-2,3-difluoro-4-hydroxyphenyl)butanoic acid
CID 117475596
2-(4-aminobutyl)-4-bromo-5-fluorophenol
CID 117409491
4-(4-bromo-5-chloro-2-fluorophenyl)butanoic acid
CID 105399208
4-(3-bromo-4-fluoro-2-hydroxyphenyl)butanoic acid
CID 83904447
4-(2-fluoro-4-hydroxyphenyl)butanoic acid
CID 83699430
4-(3-bromo-2-fluorophenyl)butanoic acid
CID 83735555
4-(4-bromo-2-chloro-3-fluorophenyl)butanoic acid
CID 117476280
4-(3,5-difluoro-4-hydroxyphenyl)butanoic acid
CID 117307682
4-(3-bromo-2-fluoro-5-propan-2-ylphenyl)butanoic acid
CID 117488099
4-(3-carboxypropyl)-2,5-difluorobenzoic acid
CID 117361861

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-4-fluoro-2-hydroxyphenyl)butanoic acid?
The IUPAC name of 4-(5-bromo-4-fluoro-2-hydroxyphenyl)butanoic acid (CID 83904474) is 4-(5-bromo-4-fluoro-2-hydroxyphenyl)butanoic acid.
What is the SMILES notation for 4-(5-bromo-4-fluoro-2-hydroxyphenyl)butanoic acid?
The canonical SMILES for 4-(5-bromo-4-fluoro-2-hydroxyphenyl)butanoic acid is O=C(O)CCCc1cc(Br)c(F)cc1O.
What is the InChIKey of 4-(5-bromo-4-fluoro-2-hydroxyphenyl)butanoic acid?
The InChIKey is JFRSSCWNVULAHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrFO3/c11-7-4-6(2-1-3-10(14)15)9(13)5-8(7)12/h4-5,13H,1-3H2,(H,14,15).
What are the key properties of 4-(5-bromo-4-fluoro-2-hydroxyphenyl)butanoic acid?
4-(5-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-(5-bromo-4-fluoro-2-hydroxyphenyl)butanoic acid is sourced from PubChem (CID 83904474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).