2-(5-bromo-2-hydroxyphenyl)acetic acid

C8H7BrO3 — CID 22106721

IUPAC2-(5-bromo-2-hydroxyphenyl)acetic acid
SMILESO=C(O)Cc1cc(Br)ccc1O
InChIInChI=1S/C8H7BrO3/c9-6-1-2-7(10)5(3-6)4-8(11)12/h1-3,10H,4H2,(H,11,12)
InChIKeySKGHTMGJWQZJEI-UHFFFAOYSA-N
MW231.04 g/mol
LogP1.78
Rot. Bonds2

About 2-(5-bromo-2-hydroxyphenyl)acetic acid

2-(5-bromo-2-hydroxyphenyl)acetic acid (PubChem CID 22106721) has the molecular formula C8H7BrO3 and a molecular weight of 231.04 g/mol. Its IUPAC name is 2-(5-bromo-2-hydroxyphenyl)acetic acid.

Molecular Properties

Compound Name2-(5-bromo-2-hydroxyphenyl)acetic acid
PubChem CID22106721
Molecular FormulaC8H7BrO3
Molecular Weight231.04 g/mol
Exact Mass229.96
IUPAC Name2-(5-bromo-2-hydroxyphenyl)acetic acid
SMILESO=C(O)Cc1cc(Br)ccc1O
InChIInChI=1S/C8H7BrO3/c9-6-1-2-7(10)5(3-6)4-8(11)12/h1-3,10H,4H2,(H,11,12)
InChIKeySKGHTMGJWQZJEI-UHFFFAOYSA-N
XLogP1.78
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.04
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-hydroxyphenyl)acetic acid?
The IUPAC name of 2-(5-bromo-2-hydroxyphenyl)acetic acid (CID 22106721) is 2-(5-bromo-2-hydroxyphenyl)acetic acid.
What is the SMILES notation for 2-(5-bromo-2-hydroxyphenyl)acetic acid?
The canonical SMILES for 2-(5-bromo-2-hydroxyphenyl)acetic acid is O=C(O)Cc1cc(Br)ccc1O.
What is the InChIKey of 2-(5-bromo-2-hydroxyphenyl)acetic acid?
The InChIKey is SKGHTMGJWQZJEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrO3/c9-6-1-2-7(10)5(3-6)4-8(11)12/h1-3,10H,4H2,(H,11,12).
What are the key properties of 2-(5-bromo-2-hydroxyphenyl)acetic acid?
2-(5-bromo-2-hydroxyphenyl)acetic acid has a molecular weight of 231.04 g/mol, XLogP of 1.78, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-hydroxyphenyl)acetic acid is sourced from PubChem (CID 22106721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).