2-(4-bromo-2-fluoro-6-hydroxyphenyl)acetic acid

C8H6BrFO3 — CID 118834527

IUPAC2-(4-bromo-2-fluoro-6-hydroxyphenyl)acetic acid
SMILESO=C(O)Cc1c(O)cc(Br)cc1F
InChIInChI=1S/C8H6BrFO3/c9-4-1-6(10)5(3-8(12)13)7(11)2-4/h1-2,11H,3H2,(H,12,13)
InChIKeyPTPMQMHXRDTUIX-UHFFFAOYSA-N
MW249.03 g/mol
LogP1.92
Rot. Bonds2

About 2-(4-bromo-2-fluoro-6-hydroxyphenyl)acetic acid

2-(4-bromo-2-fluoro-6-hydroxyphenyl)acetic acid (PubChem CID 118834527) has the molecular formula C8H6BrFO3 and a molecular weight of 249.03 g/mol. Its IUPAC name is 2-(4-bromo-2-fluoro-6-hydroxyphenyl)acetic acid.

Molecular Properties

Compound Name2-(4-bromo-2-fluoro-6-hydroxyphenyl)acetic acid
PubChem CID118834527
Molecular FormulaC8H6BrFO3
Molecular Weight249.03 g/mol
Exact Mass247.95
IUPAC Name2-(4-bromo-2-fluoro-6-hydroxyphenyl)acetic acid
SMILESO=C(O)Cc1c(O)cc(Br)cc1F
InChIInChI=1S/C8H6BrFO3/c9-4-1-6(10)5(3-8(12)13)7(11)2-4/h1-2,11H,3H2,(H,12,13)
InChIKeyPTPMQMHXRDTUIX-UHFFFAOYSA-N
XLogP1.92
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.03
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluoro-6-hydroxyphenyl)acetic acid?
The IUPAC name of 2-(4-bromo-2-fluoro-6-hydroxyphenyl)acetic acid (CID 118834527) is 2-(4-bromo-2-fluoro-6-hydroxyphenyl)acetic acid.
What is the SMILES notation for 2-(4-bromo-2-fluoro-6-hydroxyphenyl)acetic acid?
The canonical SMILES for 2-(4-bromo-2-fluoro-6-hydroxyphenyl)acetic acid is O=C(O)Cc1c(O)cc(Br)cc1F.
What is the InChIKey of 2-(4-bromo-2-fluoro-6-hydroxyphenyl)acetic acid?
The InChIKey is PTPMQMHXRDTUIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrFO3/c9-4-1-6(10)5(3-8(12)13)7(11)2-4/h1-2,11H,3H2,(H,12,13).
What are the key properties of 2-(4-bromo-2-fluoro-6-hydroxyphenyl)acetic acid?
2-(4-bromo-2-fluoro-6-hydroxyphenyl)acetic acid has a molecular weight of 249.03 g/mol, XLogP of 1.92, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-fluoro-6-hydroxyphenyl)acetic acid is sourced from PubChem (CID 118834527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).