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

C9H8BrFO3 — CID 84807152

IUPAC3-(6-bromo-2-fluoro-3-hydroxyphenyl)propanoic acid
SMILESO=C(O)CCc1c(Br)ccc(O)c1F
InChIInChI=1S/C9H8BrFO3/c10-6-2-3-7(12)9(11)5(6)1-4-8(13)14/h2-3,12H,1,4H2,(H,13,14)
InChIKeyZFIVJVUMIVHBCN-UHFFFAOYSA-N
MW263.06 g/mol
LogP2.31
Rot. Bonds3

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

3-(6-bromo-2-fluoro-3-hydroxyphenyl)propanoic acid (PubChem CID 84807152) has the molecular formula C9H8BrFO3 and a molecular weight of 263.06 g/mol. Its IUPAC name is 3-(6-bromo-2-fluoro-3-hydroxyphenyl)propanoic acid.

Molecular Properties

Compound Name3-(6-bromo-2-fluoro-3-hydroxyphenyl)propanoic acid
PubChem CID84807152
Molecular FormulaC9H8BrFO3
Molecular Weight263.06 g/mol
Exact Mass261.96
IUPAC Name3-(6-bromo-2-fluoro-3-hydroxyphenyl)propanoic acid
SMILESO=C(O)CCc1c(Br)ccc(O)c1F
InChIInChI=1S/C9H8BrFO3/c10-6-2-3-7(12)9(11)5(6)1-4-8(13)14/h2-3,12H,1,4H2,(H,13,14)
InChIKeyZFIVJVUMIVHBCN-UHFFFAOYSA-N
XLogP2.31
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.06
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-fluoro-3,6-dihydroxyphenyl)propanoic acid
CID 84775687
3-(3-bromo-2,6-difluorophenyl)propanoic acid
CID 83402647
3-(3-bromo-6-fluoro-2-hydroxyphenyl)propanoic acid
CID 84710938
3-(3-bromo-6-chloro-2-fluorophenyl)propanoic acid
CID 84812174
3-(2-fluoro-6-hydroxy-3-methylphenyl)propanoic acid
CID 84668059
3-(3-bromo-2-chloro-6-fluorophenyl)propanoic acid
CID 117452025
3-(5-chloro-2-fluoro-3,6-dihydroxyphenyl)propanoic acid
CID 84797137
3-(2-amino-6-bromophenyl)propanoic acid
CID 83853286
3-(7-bromo-5-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)propanoic acid
CID 117490209
3-bromo-2-(2-carboxyethyl)-6-methoxybenzoic acid
CID 131881631
3-[2-bromo-6-hydroxy-4-(trifluoromethyl)phenyl]propanoic acid
CID 117497965
3-[2-bromo-6-(trifluoromethylsulfanyl)phenyl]propanoic acid
CID 134621418

Frequently Asked Questions

What is the IUPAC name of 3-(6-bromo-2-fluoro-3-hydroxyphenyl)propanoic acid?
The IUPAC name of 3-(6-bromo-2-fluoro-3-hydroxyphenyl)propanoic acid (CID 84807152) is 3-(6-bromo-2-fluoro-3-hydroxyphenyl)propanoic acid.
What is the SMILES notation for 3-(6-bromo-2-fluoro-3-hydroxyphenyl)propanoic acid?
The canonical SMILES for 3-(6-bromo-2-fluoro-3-hydroxyphenyl)propanoic acid is O=C(O)CCc1c(Br)ccc(O)c1F.
What is the InChIKey of 3-(6-bromo-2-fluoro-3-hydroxyphenyl)propanoic acid?
The InChIKey is ZFIVJVUMIVHBCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrFO3/c10-6-2-3-7(12)9(11)5(6)1-4-8(13)14/h2-3,12H,1,4H2,(H,13,14).
What are the key properties of 3-(6-bromo-2-fluoro-3-hydroxyphenyl)propanoic acid?
3-(6-bromo-2-fluoro-3-hydroxyphenyl)propanoic acid has a molecular weight of 263.06 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-bromo-2-fluoro-3-hydroxyphenyl)propanoic acid is sourced from PubChem (CID 84807152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).