3-(3-bromo-2-hydroxy-4-methylphenyl)-2-methylpropanoic acid

C11H13BrO3 — CID 84713491

IUPAC3-(3-bromo-2-hydroxy-4-methylphenyl)-2-methylpropanoic acid
SMILESCc1ccc(CC(C)C(=O)O)c(O)c1Br
InChIInChI=1S/C11H13BrO3/c1-6-3-4-8(10(13)9(6)12)5-7(2)11(14)15/h3-4,7,13H,5H2,1-2H3,(H,14,15)
InChIKeyJHJVRTIGAMKVGO-UHFFFAOYSA-N
MW273.13 g/mol
LogP2.73
Rot. Bonds3

About 3-(3-bromo-2-hydroxy-4-methylphenyl)-2-methylpropanoic acid

3-(3-bromo-2-hydroxy-4-methylphenyl)-2-methylpropanoic acid (PubChem CID 84713491) has the molecular formula C11H13BrO3 and a molecular weight of 273.13 g/mol. Its IUPAC name is 3-(3-bromo-2-hydroxy-4-methylphenyl)-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(3-bromo-2-hydroxy-4-methylphenyl)-2-methylpropanoic acid
PubChem CID84713491
Molecular FormulaC11H13BrO3
Molecular Weight273.13 g/mol
Exact Mass272.00
IUPAC Name3-(3-bromo-2-hydroxy-4-methylphenyl)-2-methylpropanoic acid
SMILESCc1ccc(CC(C)C(=O)O)c(O)c1Br
InChIInChI=1S/C11H13BrO3/c1-6-3-4-8(10(13)9(6)12)5-7(2)11(14)15/h3-4,7,13H,5H2,1-2H3,(H,14,15)
InChIKeyJHJVRTIGAMKVGO-UHFFFAOYSA-N
XLogP2.73
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.13
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-3-(3-bromo-2-hydroxy-4-methylphenyl)propanoic acid
CID 84713730
3-(3-bromo-2-hydroxy-4-methoxyphenyl)-2-methylpropanoic acid
CID 84814594
3-(2-hydroxy-3-methoxy-4-methylphenyl)-2-methylpropanoic acid
CID 84689070
3-(3-bromo-2-hydroxy-4-methylphenyl)propanoic acid
CID 84709646
3-(3-bromo-2-hydroxy-5-methylphenyl)-2-methylpropanoic acid
CID 83903983
3-(2-bromo-4-methylphenyl)-2-methylpropanoic acid
CID 83731619
3-(3-bromo-2,4-difluorophenyl)-2-methylpropanoic acid
CID 84811503
3-(2-bromo-6-methoxy-3-methylphenyl)-2-methylpropanoic acid
CID 84813954
(2R)-3-(2,4-dimethylphenyl)-2-methylpropanoic acid
CID 96752041
3-(1-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2-methylpropanoic acid
CID 117340695
3-(2-bromo-4-chloro-3-fluorophenyl)-2-methylpropanoic acid
CID 117476290
3-(2-hydroxy-4,5-dimethylphenyl)-2-methylpropanoic acid
CID 131600841

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-2-hydroxy-4-methylphenyl)-2-methylpropanoic acid?
The IUPAC name of 3-(3-bromo-2-hydroxy-4-methylphenyl)-2-methylpropanoic acid (CID 84713491) is 3-(3-bromo-2-hydroxy-4-methylphenyl)-2-methylpropanoic acid.
What is the SMILES notation for 3-(3-bromo-2-hydroxy-4-methylphenyl)-2-methylpropanoic acid?
The canonical SMILES for 3-(3-bromo-2-hydroxy-4-methylphenyl)-2-methylpropanoic acid is Cc1ccc(CC(C)C(=O)O)c(O)c1Br.
What is the InChIKey of 3-(3-bromo-2-hydroxy-4-methylphenyl)-2-methylpropanoic acid?
The InChIKey is JHJVRTIGAMKVGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrO3/c1-6-3-4-8(10(13)9(6)12)5-7(2)11(14)15/h3-4,7,13H,5H2,1-2H3,(H,14,15).
What are the key properties of 3-(3-bromo-2-hydroxy-4-methylphenyl)-2-methylpropanoic acid?
3-(3-bromo-2-hydroxy-4-methylphenyl)-2-methylpropanoic acid has a molecular weight of 273.13 g/mol, XLogP of 2.73, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-2-hydroxy-4-methylphenyl)-2-methylpropanoic acid is sourced from PubChem (CID 84713491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).