2-(3-bromo-4-hydroxyphenyl)acetic acid

C8H7BrO3 — CID 2769628

IUPAC2-(3-bromo-4-hydroxyphenyl)acetic acid
SMILESO=C(O)Cc1ccc(O)c(Br)c1
InChIInChI=1S/C8H7BrO3/c9-6-3-5(4-8(11)12)1-2-7(6)10/h1-3,10H,4H2,(H,11,12)
InChIKeyBFVCOQXPSXVGPS-UHFFFAOYSA-N
MW231.04 g/mol
LogP1.78
Rot. Bonds2

About 2-(3-bromo-4-hydroxyphenyl)acetic acid

2-(3-bromo-4-hydroxyphenyl)acetic acid (PubChem CID 2769628) has the molecular formula C8H7BrO3 and a molecular weight of 231.04 g/mol. Its IUPAC name is 2-(3-bromo-4-hydroxyphenyl)acetic acid.

Molecular Properties

Compound Name2-(3-bromo-4-hydroxyphenyl)acetic acid
PubChem CID2769628
Molecular FormulaC8H7BrO3
Molecular Weight231.04 g/mol
Exact Mass229.96
IUPAC Name2-(3-bromo-4-hydroxyphenyl)acetic acid
SMILESO=C(O)Cc1ccc(O)c(Br)c1
InChIInChI=1S/C8H7BrO3/c9-6-3-5(4-8(11)12)1-2-7(6)10/h1-3,10H,4H2,(H,11,12)
InChIKeyBFVCOQXPSXVGPS-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-(3-bromo-4-hydroxyphenyl)acetic acid?
The IUPAC name of 2-(3-bromo-4-hydroxyphenyl)acetic acid (CID 2769628) is 2-(3-bromo-4-hydroxyphenyl)acetic acid.
What is the SMILES notation for 2-(3-bromo-4-hydroxyphenyl)acetic acid?
The canonical SMILES for 2-(3-bromo-4-hydroxyphenyl)acetic acid is O=C(O)Cc1ccc(O)c(Br)c1.
What is the InChIKey of 2-(3-bromo-4-hydroxyphenyl)acetic acid?
The InChIKey is BFVCOQXPSXVGPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrO3/c9-6-3-5(4-8(11)12)1-2-7(6)10/h1-3,10H,4H2,(H,11,12).
What are the key properties of 2-(3-bromo-4-hydroxyphenyl)acetic acid?
2-(3-bromo-4-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-(3-bromo-4-hydroxyphenyl)acetic acid is sourced from PubChem (CID 2769628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).