2-(5-bromo-2-hydroxy-3,4-dimethylphenyl)acetic acid

C10H11BrO3 — CID 83901744

IUPAC2-(5-bromo-2-hydroxy-3,4-dimethylphenyl)acetic acid
SMILESCc1c(Br)cc(CC(=O)O)c(O)c1C
InChIInChI=1S/C10H11BrO3/c1-5-6(2)10(14)7(3-8(5)11)4-9(12)13/h3,14H,4H2,1-2H3,(H,12,13)
InChIKeyRILQDLSYXDVXMD-UHFFFAOYSA-N
MW259.10 g/mol
LogP2.40
Rot. Bonds2

About 2-(5-bromo-2-hydroxy-3,4-dimethylphenyl)acetic acid

2-(5-bromo-2-hydroxy-3,4-dimethylphenyl)acetic acid (PubChem CID 83901744) has the molecular formula C10H11BrO3 and a molecular weight of 259.10 g/mol. Its IUPAC name is 2-(5-bromo-2-hydroxy-3,4-dimethylphenyl)acetic acid.

Molecular Properties

Compound Name2-(5-bromo-2-hydroxy-3,4-dimethylphenyl)acetic acid
PubChem CID83901744
Molecular FormulaC10H11BrO3
Molecular Weight259.10 g/mol
Exact Mass257.99
IUPAC Name2-(5-bromo-2-hydroxy-3,4-dimethylphenyl)acetic acid
SMILESCc1c(Br)cc(CC(=O)O)c(O)c1C
InChIInChI=1S/C10H11BrO3/c1-5-6(2)10(14)7(3-8(5)11)4-9(12)13/h3,14H,4H2,1-2H3,(H,12,13)
InChIKeyRILQDLSYXDVXMD-UHFFFAOYSA-N
XLogP2.40
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 ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-hydroxy-3,4-dimethylphenyl)acetic acid?
The IUPAC name of 2-(5-bromo-2-hydroxy-3,4-dimethylphenyl)acetic acid (CID 83901744) is 2-(5-bromo-2-hydroxy-3,4-dimethylphenyl)acetic acid.
What is the SMILES notation for 2-(5-bromo-2-hydroxy-3,4-dimethylphenyl)acetic acid?
The canonical SMILES for 2-(5-bromo-2-hydroxy-3,4-dimethylphenyl)acetic acid is Cc1c(Br)cc(CC(=O)O)c(O)c1C.
What is the InChIKey of 2-(5-bromo-2-hydroxy-3,4-dimethylphenyl)acetic acid?
The InChIKey is RILQDLSYXDVXMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrO3/c1-5-6(2)10(14)7(3-8(5)11)4-9(12)13/h3,14H,4H2,1-2H3,(H,12,13).
What are the key properties of 2-(5-bromo-2-hydroxy-3,4-dimethylphenyl)acetic acid?
2-(5-bromo-2-hydroxy-3,4-dimethylphenyl)acetic acid has a molecular weight of 259.10 g/mol, XLogP of 2.40, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-hydroxy-3,4-dimethylphenyl)acetic acid is sourced from PubChem (CID 83901744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).