2-(3-bromo-2-hydroxy-5-methylphenyl)propanoic acid

C10H11BrO3 — CID 83901747

IUPAC2-(3-bromo-2-hydroxy-5-methylphenyl)propanoic acid
SMILESCc1cc(Br)c(O)c(C(C)C(=O)O)c1
InChIInChI=1S/C10H11BrO3/c1-5-3-7(6(2)10(13)14)9(12)8(11)4-5/h3-4,6,12H,1-2H3,(H,13,14)
InChIKeyYYTUPIZCTQEYFS-UHFFFAOYSA-N
MW259.10 g/mol
LogP2.65
Rot. Bonds2

About 2-(3-bromo-2-hydroxy-5-methylphenyl)propanoic acid

2-(3-bromo-2-hydroxy-5-methylphenyl)propanoic acid (PubChem CID 83901747) has the molecular formula C10H11BrO3 and a molecular weight of 259.10 g/mol. Its IUPAC name is 2-(3-bromo-2-hydroxy-5-methylphenyl)propanoic acid.

Molecular Properties

Compound Name2-(3-bromo-2-hydroxy-5-methylphenyl)propanoic acid
PubChem CID83901747
Molecular FormulaC10H11BrO3
Molecular Weight259.10 g/mol
Exact Mass257.99
IUPAC Name2-(3-bromo-2-hydroxy-5-methylphenyl)propanoic acid
SMILESCc1cc(Br)c(O)c(C(C)C(=O)O)c1
InChIInChI=1S/C10H11BrO3/c1-5-3-7(6(2)10(13)14)9(12)8(11)4-5/h3-4,6,12H,1-2H3,(H,13,14)
InChIKeyYYTUPIZCTQEYFS-UHFFFAOYSA-N
XLogP2.65
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.10
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-6-[1-(3-bromo-2-hydroxy-5-methylphenyl)ethyl]-4-methylphenol
CID 134109781
2-(5-bromo-2-hydroxy-3,4-dimethylphenyl)propanoic acid
CID 83903974
3-(3-bromo-2-hydroxy-5-methylphenyl)-2-methylpropanoic acid
CID 83903983
2-(5-bromo-2-hydroxy-3-methoxy-4-methylphenyl)propanoic acid
CID 117466832
2-(2-chloro-3-hydroxy-5-methylphenyl)propanoic acid
CID 117305876
2-(3-bromo-5-fluoro-2,4-dihydroxyphenyl)propanoic acid
CID 84811488
2-[3-bromo-2-(cyclopropylmethoxy)-5-methylphenyl]propanoic acid
CID 117498299
2-(2,5-dihydroxy-4-methylphenyl)propanoic acid
CID 23177136
2-(4-bromo-3-chloro-2-hydroxyphenyl)propanoic acid
CID 84811622
(2R)-2-(2,4,6-trimethylphenyl)propanoic acid
CID 54026726
2-(5-hydroxy-2,3,4-trimethylphenyl)propanoic acid
CID 121015128
2-(2-hydroxy-3,4-dimethylphenyl)propanoic acid
CID 83878748

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2-hydroxy-5-methylphenyl)propanoic acid?
The IUPAC name of 2-(3-bromo-2-hydroxy-5-methylphenyl)propanoic acid (CID 83901747) is 2-(3-bromo-2-hydroxy-5-methylphenyl)propanoic acid.
What is the SMILES notation for 2-(3-bromo-2-hydroxy-5-methylphenyl)propanoic acid?
The canonical SMILES for 2-(3-bromo-2-hydroxy-5-methylphenyl)propanoic acid is Cc1cc(Br)c(O)c(C(C)C(=O)O)c1.
What is the InChIKey of 2-(3-bromo-2-hydroxy-5-methylphenyl)propanoic acid?
The InChIKey is YYTUPIZCTQEYFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrO3/c1-5-3-7(6(2)10(13)14)9(12)8(11)4-5/h3-4,6,12H,1-2H3,(H,13,14).
What are the key properties of 2-(3-bromo-2-hydroxy-5-methylphenyl)propanoic acid?
2-(3-bromo-2-hydroxy-5-methylphenyl)propanoic acid has a molecular weight of 259.10 g/mol, XLogP of 2.65, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-2-hydroxy-5-methylphenyl)propanoic acid is sourced from PubChem (CID 83901747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).