2-(2-bromo-6-hydroxy-3-methoxyphenyl)acetic acid

C9H9BrO4 — CID 84806650

IUPAC2-(2-bromo-6-hydroxy-3-methoxyphenyl)acetic acid
SMILESCOc1ccc(O)c(CC(=O)O)c1Br
InChIInChI=1S/C9H9BrO4/c1-14-7-3-2-6(11)5(9(7)10)4-8(12)13/h2-3,11H,4H2,1H3,(H,12,13)
InChIKeyNWGKLMZEDLGLHK-UHFFFAOYSA-N
MW261.07 g/mol
LogP1.79
Rot. Bonds3

About 2-(2-bromo-6-hydroxy-3-methoxyphenyl)acetic acid

2-(2-bromo-6-hydroxy-3-methoxyphenyl)acetic acid (PubChem CID 84806650) has the molecular formula C9H9BrO4 and a molecular weight of 261.07 g/mol. Its IUPAC name is 2-(2-bromo-6-hydroxy-3-methoxyphenyl)acetic acid.

Molecular Properties

Compound Name2-(2-bromo-6-hydroxy-3-methoxyphenyl)acetic acid
PubChem CID84806650
Molecular FormulaC9H9BrO4
Molecular Weight261.07 g/mol
Exact Mass259.97
IUPAC Name2-(2-bromo-6-hydroxy-3-methoxyphenyl)acetic acid
SMILESCOc1ccc(O)c(CC(=O)O)c1Br
InChIInChI=1S/C9H9BrO4/c1-14-7-3-2-6(11)5(9(7)10)4-8(12)13/h2-3,11H,4H2,1H3,(H,12,13)
InChIKeyNWGKLMZEDLGLHK-UHFFFAOYSA-N
XLogP1.79
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.07
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromo-3,6-dimethoxyphenyl)acetic acid
CID 84810613
2-[3,6-dimethoxy-2-(methoxymethyl)phenyl]acetic acid
CID 117353050
3-(3-bromo-2-hydroxy-4-methoxyphenyl)propanoic acid
CID 84810610
2-(6-bromo-3-methoxy-2-nitrophenyl)acetic acid
CID 171007936
3-(6-hydroxy-2,3-dimethoxyphenyl)propanoic acid
CID 117325049
2-(2,6-diamino-3-methoxyphenyl)acetic acid
CID 171010490
2-(4-hydroxy-3-methoxyphenyl)acetic acid;hydrate
CID 141474134
2-(4,5-dihydroxy-2-methoxyphenyl)acetic acid
CID 141381031
2-(6-hydroxy-2-methoxy-3-nitrophenyl)acetic acid
CID 11770181
ethyl 2-(2-bromo-3-methoxy-6-methylphenyl)acetate
CID 171001723
1-(2-chloro-6-hydroxy-3-methoxyphenyl)propan-2-one
CID 84783610
2-(3,6-dimethoxy-2-methylsulfonylphenyl)acetic acid
CID 117438167

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-6-hydroxy-3-methoxyphenyl)acetic acid?
The IUPAC name of 2-(2-bromo-6-hydroxy-3-methoxyphenyl)acetic acid (CID 84806650) is 2-(2-bromo-6-hydroxy-3-methoxyphenyl)acetic acid.
What is the SMILES notation for 2-(2-bromo-6-hydroxy-3-methoxyphenyl)acetic acid?
The canonical SMILES for 2-(2-bromo-6-hydroxy-3-methoxyphenyl)acetic acid is COc1ccc(O)c(CC(=O)O)c1Br.
What is the InChIKey of 2-(2-bromo-6-hydroxy-3-methoxyphenyl)acetic acid?
The InChIKey is NWGKLMZEDLGLHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrO4/c1-14-7-3-2-6(11)5(9(7)10)4-8(12)13/h2-3,11H,4H2,1H3,(H,12,13).
What are the key properties of 2-(2-bromo-6-hydroxy-3-methoxyphenyl)acetic acid?
2-(2-bromo-6-hydroxy-3-methoxyphenyl)acetic acid has a molecular weight of 261.07 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-6-hydroxy-3-methoxyphenyl)acetic acid is sourced from PubChem (CID 84806650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).