2-(5-bromo-3,4-dimethoxy-2-methylphenyl)acetic acid

C11H13BrO4 — CID 117466771

IUPAC2-(5-bromo-3,4-dimethoxy-2-methylphenyl)acetic acid
SMILESCOc1c(Br)cc(CC(=O)O)c(C)c1OC
InChIInChI=1S/C11H13BrO4/c1-6-7(5-9(13)14)4-8(12)11(16-3)10(6)15-2/h4H,5H2,1-3H3,(H,13,14)
InChIKeyJBAYIIQGQQTXDK-UHFFFAOYSA-N
MW289.12 g/mol
LogP2.40
Rot. Bonds4

About 2-(5-bromo-3,4-dimethoxy-2-methylphenyl)acetic acid

2-(5-bromo-3,4-dimethoxy-2-methylphenyl)acetic acid (PubChem CID 117466771) has the molecular formula C11H13BrO4 and a molecular weight of 289.12 g/mol. Its IUPAC name is 2-(5-bromo-3,4-dimethoxy-2-methylphenyl)acetic acid.

Molecular Properties

Compound Name2-(5-bromo-3,4-dimethoxy-2-methylphenyl)acetic acid
PubChem CID117466771
Molecular FormulaC11H13BrO4
Molecular Weight289.12 g/mol
Exact Mass288.00
IUPAC Name2-(5-bromo-3,4-dimethoxy-2-methylphenyl)acetic acid
SMILESCOc1c(Br)cc(CC(=O)O)c(C)c1OC
InChIInChI=1S/C11H13BrO4/c1-6-7(5-9(13)14)4-8(12)11(16-3)10(6)15-2/h4H,5H2,1-3H3,(H,13,14)
InChIKeyJBAYIIQGQQTXDK-UHFFFAOYSA-N
XLogP2.40
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.12
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(5-bromo-3,4-dimethoxy-2-methylphenyl)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5-bromo-3,4-dimethoxy-2-methylphenyl)methanol
CID 84710424
2-(3-bromo-2,4-dimethoxy-5-methylphenyl)acetic acid
CID 117466785
2-(3-bromo-5-cyano-2-methoxyphenyl)acetic acid
CID 91902746
3-(4-bromo-3-methoxy-2,5-dimethylphenyl)propanoic acid
CID 84814001
[1-(5-bromo-3,4-dimethoxy-2-methylphenyl)-2-methylpropan-2-yl]-hydroxy-diphenylsilane
CID 89128924
2-(5-bromo-2-hydroxy-3,4-dimethylphenyl)acetic acid
CID 83901744
4-(3,4-dimethoxy-2,5-dimethylphenyl)butanoic acid
CID 117383909
3-(5-bromo-2,4-difluoro-3-methoxyphenyl)propanoic acid
CID 117475612
2-(3-methoxy-2,5-dimethylphenyl)acetic acid
CID 118998759
2-[3,5-dibromo-4-methoxy-2-[(4-methoxyphenyl)methoxy]phenyl]acetic acid
CID 10766372
2-(6-bromo-4-formyl-2,3-dimethoxyphenyl)acetic acid
CID 117487778
3-(3-bromo-4-methoxy-5-methylphenyl)-3-methylbutanoic acid
CID 117485174

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-3,4-dimethoxy-2-methylphenyl)acetic acid?
The IUPAC name of 2-(5-bromo-3,4-dimethoxy-2-methylphenyl)acetic acid (CID 117466771) is 2-(5-bromo-3,4-dimethoxy-2-methylphenyl)acetic acid.
What is the SMILES notation for 2-(5-bromo-3,4-dimethoxy-2-methylphenyl)acetic acid?
The canonical SMILES for 2-(5-bromo-3,4-dimethoxy-2-methylphenyl)acetic acid is COc1c(Br)cc(CC(=O)O)c(C)c1OC.
What is the InChIKey of 2-(5-bromo-3,4-dimethoxy-2-methylphenyl)acetic acid?
The InChIKey is JBAYIIQGQQTXDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrO4/c1-6-7(5-9(13)14)4-8(12)11(16-3)10(6)15-2/h4H,5H2,1-3H3,(H,13,14).
What are the key properties of 2-(5-bromo-3,4-dimethoxy-2-methylphenyl)acetic acid?
2-(5-bromo-3,4-dimethoxy-2-methylphenyl)acetic acid has a molecular weight of 289.12 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-3,4-dimethoxy-2-methylphenyl)acetic acid is sourced from PubChem (CID 117466771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).