3-(2-bromo-6-hydroxyphenyl)-2-methylpropanoic acid

C10H11BrO3 — CID 84738183

IUPAC3-(2-bromo-6-hydroxyphenyl)-2-methylpropanoic acid
SMILESCC(Cc1c(O)cccc1Br)C(=O)O
InChIInChI=1S/C10H11BrO3/c1-6(10(13)14)5-7-8(11)3-2-4-9(7)12/h2-4,6,12H,5H2,1H3,(H,13,14)
InChIKeyXTLMFCYWQAAPQN-UHFFFAOYSA-N
MW259.10 g/mol
LogP2.42
Rot. Bonds3

About 3-(2-bromo-6-hydroxyphenyl)-2-methylpropanoic acid

3-(2-bromo-6-hydroxyphenyl)-2-methylpropanoic acid (PubChem CID 84738183) has the molecular formula C10H11BrO3 and a molecular weight of 259.10 g/mol. Its IUPAC name is 3-(2-bromo-6-hydroxyphenyl)-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(2-bromo-6-hydroxyphenyl)-2-methylpropanoic acid
PubChem CID84738183
Molecular FormulaC10H11BrO3
Molecular Weight259.10 g/mol
Exact Mass257.99
IUPAC Name3-(2-bromo-6-hydroxyphenyl)-2-methylpropanoic acid
SMILESCC(Cc1c(O)cccc1Br)C(=O)O
InChIInChI=1S/C10H11BrO3/c1-6(10(13)14)5-7-8(11)3-2-4-9(7)12/h2-4,6,12H,5H2,1H3,(H,13,14)
InChIKeyXTLMFCYWQAAPQN-UHFFFAOYSA-N
XLogP2.42
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.10
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-3-(2-bromo-6-hydroxyphenyl)propanoic acid
CID 96589023
3-(2-hydroxy-6-methylsulfonylphenyl)-2-methylpropanoic acid
CID 117399286
3-(2-bromo-6-fluoro-3-hydroxyphenyl)-2-methylpropanoic acid
CID 84811125
3-[2-(2-bromophenyl)-4,6-dimethylpyrimidin-5-yl]-2-methylpropanoic acid
CID 65293991
3-(3-hydroxy-2-methylsulfanylphenyl)-2-methylpropanoic acid
CID 117325703
3-(2,7-dihydroxynaphthalen-1-yl)-2-methylpropanoic acid
CID 117367475
3-(4-bromo-2-hydroxy-3,6-dimethylphenyl)-2-methylpropanoic acid
CID 117463133
3-(5-bromo-2,3-difluoro-6-hydroxyphenyl)-2-methylpropanoic acid
CID 117475607
3-(7-bromo-1-methylindol-2-yl)-2-methylpropanoic acid
CID 117196879
3-(7-bromo-2H-indazol-3-yl)-2-methylpropanoic acid
CID 84730633
(2S)-3-(4-bromophenyl)-2-methylpropanoic acid
CID 59063206
(2S)-3-(2-chloro-6-fluorophenyl)-2-methylpropanoic acid
CID 42327266

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-6-hydroxyphenyl)-2-methylpropanoic acid?
The IUPAC name of 3-(2-bromo-6-hydroxyphenyl)-2-methylpropanoic acid (CID 84738183) is 3-(2-bromo-6-hydroxyphenyl)-2-methylpropanoic acid.
What is the SMILES notation for 3-(2-bromo-6-hydroxyphenyl)-2-methylpropanoic acid?
The canonical SMILES for 3-(2-bromo-6-hydroxyphenyl)-2-methylpropanoic acid is CC(Cc1c(O)cccc1Br)C(=O)O.
What is the InChIKey of 3-(2-bromo-6-hydroxyphenyl)-2-methylpropanoic acid?
The InChIKey is XTLMFCYWQAAPQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrO3/c1-6(10(13)14)5-7-8(11)3-2-4-9(7)12/h2-4,6,12H,5H2,1H3,(H,13,14).
What are the key properties of 3-(2-bromo-6-hydroxyphenyl)-2-methylpropanoic acid?
3-(2-bromo-6-hydroxyphenyl)-2-methylpropanoic acid has a molecular weight of 259.10 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-6-hydroxyphenyl)-2-methylpropanoic acid is sourced from PubChem (CID 84738183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).