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

C11H13BrO4 — CID 117466785

IUPAC2-(3-bromo-2,4-dimethoxy-5-methylphenyl)acetic acid
SMILESCOc1c(C)cc(CC(=O)O)c(OC)c1Br
InChIInChI=1S/C11H13BrO4/c1-6-4-7(5-8(13)14)11(16-3)9(12)10(6)15-2/h4H,5H2,1-3H3,(H,13,14)
InChIKeyCLCSYPACLKPXLF-UHFFFAOYSA-N
MW289.12 g/mol
LogP2.40
Rot. Bonds4

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

2-(3-bromo-2,4-dimethoxy-5-methylphenyl)acetic acid (PubChem CID 117466785) has the molecular formula C11H13BrO4 and a molecular weight of 289.12 g/mol. Its IUPAC name is 2-(3-bromo-2,4-dimethoxy-5-methylphenyl)acetic acid.

Molecular Properties

Compound Name2-(3-bromo-2,4-dimethoxy-5-methylphenyl)acetic acid
PubChem CID117466785
Molecular FormulaC11H13BrO4
Molecular Weight289.12 g/mol
Exact Mass288.00
IUPAC Name2-(3-bromo-2,4-dimethoxy-5-methylphenyl)acetic acid
SMILESCOc1c(C)cc(CC(=O)O)c(OC)c1Br
InChIInChI=1S/C11H13BrO4/c1-6-4-7(5-8(13)14)11(16-3)9(12)10(6)15-2/h4H,5H2,1-3H3,(H,13,14)
InChIKeyCLCSYPACLKPXLF-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

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Related Compounds

3-(3-bromo-2,4-dimethoxy-5-methylphenyl)propanoic acid
CID 117488028
2-(3-chloro-4-hydroxy-2-methoxy-5-methylphenyl)acetic acid
CID 84794027
3-(4-bromo-3-methoxy-2,5-dimethylphenyl)propanoic acid
CID 84814001
2-(5-bromo-3,4-dimethoxy-2-methylphenyl)acetic acid
CID 117466771
2-(5-bromo-3-tert-butyl-2-methoxyphenyl)acetic acid
CID 117485194
3-bromo-2-hydroxy-4-methoxy-5-methylbenzoic acid
CID 84806657
2-(3,4-dimethoxy-5-methylphenyl)acetic acid
CID 70527445
2-[4-(carboxymethyl)-2,5-dimethylphenyl]acetic acid
CID 658274
3-(3-bromo-2,5-dimethoxy-4-methylphenyl)propanoic acid
CID 117488026
2-(3-bromo-5-fluoro-2-hydroxy-4-methoxyphenyl)acetic acid
CID 84811493
2-(6-chloro-3-methoxy-2,4-dimethylphenyl)acetic acid
CID 117329552
2-(3-bromo-2-fluoro-4,5-dimethoxyphenyl)acetic acid
CID 117472876

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2,4-dimethoxy-5-methylphenyl)acetic acid?
The IUPAC name of 2-(3-bromo-2,4-dimethoxy-5-methylphenyl)acetic acid (CID 117466785) is 2-(3-bromo-2,4-dimethoxy-5-methylphenyl)acetic acid.
What is the SMILES notation for 2-(3-bromo-2,4-dimethoxy-5-methylphenyl)acetic acid?
The canonical SMILES for 2-(3-bromo-2,4-dimethoxy-5-methylphenyl)acetic acid is COc1c(C)cc(CC(=O)O)c(OC)c1Br.
What is the InChIKey of 2-(3-bromo-2,4-dimethoxy-5-methylphenyl)acetic acid?
The InChIKey is CLCSYPACLKPXLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrO4/c1-6-4-7(5-8(13)14)11(16-3)9(12)10(6)15-2/h4H,5H2,1-3H3,(H,13,14).
What are the key properties of 2-(3-bromo-2,4-dimethoxy-5-methylphenyl)acetic acid?
2-(3-bromo-2,4-dimethoxy-5-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-(3-bromo-2,4-dimethoxy-5-methylphenyl)acetic acid is sourced from PubChem (CID 117466785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).