2-(2-bromo-3,6-dimethoxyphenyl)acetic acid

C10H11BrO4 — CID 84810613

IUPAC2-(2-bromo-3,6-dimethoxyphenyl)acetic acid
SMILESCOc1ccc(OC)c(CC(=O)O)c1Br
InChIInChI=1S/C10H11BrO4/c1-14-7-3-4-8(15-2)10(11)6(7)5-9(12)13/h3-4H,5H2,1-2H3,(H,12,13)
InChIKeyWTVAOECDLFSPLT-UHFFFAOYSA-N
MW275.10 g/mol
LogP2.09
Rot. Bonds4

About 2-(2-bromo-3,6-dimethoxyphenyl)acetic acid

2-(2-bromo-3,6-dimethoxyphenyl)acetic acid (PubChem CID 84810613) has the molecular formula C10H11BrO4 and a molecular weight of 275.10 g/mol. Its IUPAC name is 2-(2-bromo-3,6-dimethoxyphenyl)acetic acid.

Molecular Properties

Compound Name2-(2-bromo-3,6-dimethoxyphenyl)acetic acid
PubChem CID84810613
Molecular FormulaC10H11BrO4
Molecular Weight275.10 g/mol
Exact Mass273.98
IUPAC Name2-(2-bromo-3,6-dimethoxyphenyl)acetic acid
SMILESCOc1ccc(OC)c(CC(=O)O)c1Br
InChIInChI=1S/C10H11BrO4/c1-14-7-3-4-8(15-2)10(11)6(7)5-9(12)13/h3-4H,5H2,1-2H3,(H,12,13)
InChIKeyWTVAOECDLFSPLT-UHFFFAOYSA-N
XLogP2.09
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.10
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2-bromo-3,6-dimethoxyphenyl)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

2-(2-bromo-6-hydroxy-3-methoxyphenyl)acetic acid
CID 84806650
2-[3,6-dimethoxy-2-(methoxymethyl)phenyl]acetic acid
CID 117353050
2-bromo-3-ethyl-1,4-dimethoxybenzene
CID 84704847
2-(3,6-dimethoxy-2-methylsulfonylphenyl)acetic acid
CID 117438167
1-[(2-bromo-3,6-dimethoxyphenyl)methyl]cyclopropan-1-ol
CID 117462925
2-(6-bromo-3-methoxy-2-nitrophenyl)acetic acid
CID 171007936
2-(6-amino-2-fluoro-3-methoxyphenyl)acetic acid
CID 171034052
2-(2,6-diamino-3-methoxyphenyl)acetic acid
CID 171010490
3-(3-bromo-2-hydroxy-4-methoxyphenyl)propanoic acid
CID 84810610
(2,3-dibromo-6-methoxyphenyl)methanol
CID 171002454
3-(2-bromo-3,6-dimethoxyphenyl)propanal
CID 117435067
ethyl 2-(2-bromo-3-methoxy-6-methylphenyl)acetate
CID 171001723

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-3,6-dimethoxyphenyl)acetic acid?
The IUPAC name of 2-(2-bromo-3,6-dimethoxyphenyl)acetic acid (CID 84810613) is 2-(2-bromo-3,6-dimethoxyphenyl)acetic acid.
What is the SMILES notation for 2-(2-bromo-3,6-dimethoxyphenyl)acetic acid?
The canonical SMILES for 2-(2-bromo-3,6-dimethoxyphenyl)acetic acid is COc1ccc(OC)c(CC(=O)O)c1Br.
What is the InChIKey of 2-(2-bromo-3,6-dimethoxyphenyl)acetic acid?
The InChIKey is WTVAOECDLFSPLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrO4/c1-14-7-3-4-8(15-2)10(11)6(7)5-9(12)13/h3-4H,5H2,1-2H3,(H,12,13).
What are the key properties of 2-(2-bromo-3,6-dimethoxyphenyl)acetic acid?
2-(2-bromo-3,6-dimethoxyphenyl)acetic acid has a molecular weight of 275.10 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-3,6-dimethoxyphenyl)acetic acid is sourced from PubChem (CID 84810613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).