2-(2-bromo-6-hydroxy-4-methylphenyl)butanoic acid

C11H13BrO3 — CID 84809964

IUPAC2-(2-bromo-6-hydroxy-4-methylphenyl)butanoic acid
SMILESCCC(C(=O)O)c1c(O)cc(C)cc1Br
InChIInChI=1S/C11H13BrO3/c1-3-7(11(14)15)10-8(12)4-6(2)5-9(10)13/h4-5,7,13H,3H2,1-2H3,(H,14,15)
InChIKeyUDUYZNVQLRQDKP-UHFFFAOYSA-N
MW273.13 g/mol
LogP3.04
Rot. Bonds3

About 2-(2-bromo-6-hydroxy-4-methylphenyl)butanoic acid

2-(2-bromo-6-hydroxy-4-methylphenyl)butanoic acid (PubChem CID 84809964) has the molecular formula C11H13BrO3 and a molecular weight of 273.13 g/mol. Its IUPAC name is 2-(2-bromo-6-hydroxy-4-methylphenyl)butanoic acid.

Molecular Properties

Compound Name2-(2-bromo-6-hydroxy-4-methylphenyl)butanoic acid
PubChem CID84809964
Molecular FormulaC11H13BrO3
Molecular Weight273.13 g/mol
Exact Mass272.00
IUPAC Name2-(2-bromo-6-hydroxy-4-methylphenyl)butanoic acid
SMILESCCC(C(=O)O)c1c(O)cc(C)cc1Br
InChIInChI=1S/C11H13BrO3/c1-3-7(11(14)15)10-8(12)4-6(2)5-9(10)13/h4-5,7,13H,3H2,1-2H3,(H,14,15)
InChIKeyUDUYZNVQLRQDKP-UHFFFAOYSA-N
XLogP3.04
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 ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,6-dibromophenyl)butanoic acid
CID 130134758
2-(3-bromo-2-fluoro-6-hydroxyphenyl)butanoic acid
CID 84811131
2-(1-aminopropan-2-yl)-3-bromo-5-methylphenol
CID 84802476
2-amino-3-(2-bromo-6-hydroxy-4-methylphenyl)propanoic acid
CID 84810240
2-(4-bromo-3,5-dimethylphenyl)butanoic acid
CID 84809315
3-(3-bromo-2-hydroxy-5-methylphenyl)-2-methylpropanoic acid
CID 83903983
2-[(1S)-1-aminopropyl]-5-methylbenzene-1,3-diol
CID 55292448
2-(5-chloro-2-hydroxy-3,6-dimethylphenyl)butanoic acid
CID 84801808
2-(4-bromo-3-fluoro-5-hydroxyphenyl)butanoic acid
CID 84811137
2-(2,3,5,6-tetrafluorophenyl)butanoic acid
CID 130134734
2-(2-bromo-4,5-difluorophenyl)butanoic acid
CID 130134766
2-(4-bromo-2,5-difluorophenyl)butanoic acid
CID 84811511

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-6-hydroxy-4-methylphenyl)butanoic acid?
The IUPAC name of 2-(2-bromo-6-hydroxy-4-methylphenyl)butanoic acid (CID 84809964) is 2-(2-bromo-6-hydroxy-4-methylphenyl)butanoic acid.
What is the SMILES notation for 2-(2-bromo-6-hydroxy-4-methylphenyl)butanoic acid?
The canonical SMILES for 2-(2-bromo-6-hydroxy-4-methylphenyl)butanoic acid is CCC(C(=O)O)c1c(O)cc(C)cc1Br.
What is the InChIKey of 2-(2-bromo-6-hydroxy-4-methylphenyl)butanoic acid?
The InChIKey is UDUYZNVQLRQDKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrO3/c1-3-7(11(14)15)10-8(12)4-6(2)5-9(10)13/h4-5,7,13H,3H2,1-2H3,(H,14,15).
What are the key properties of 2-(2-bromo-6-hydroxy-4-methylphenyl)butanoic acid?
2-(2-bromo-6-hydroxy-4-methylphenyl)butanoic acid has a molecular weight of 273.13 g/mol, XLogP of 3.04, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-6-hydroxy-4-methylphenyl)butanoic acid is sourced from PubChem (CID 84809964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).