3-(3-bromo-2-hydroxy-4-methoxyphenyl)propanoic acid

C10H11BrO4 — CID 84810610

IUPAC3-(3-bromo-2-hydroxy-4-methoxyphenyl)propanoic acid
SMILESCOc1ccc(CCC(=O)O)c(O)c1Br
InChIInChI=1S/C10H11BrO4/c1-15-7-4-2-6(3-5-8(12)13)10(14)9(7)11/h2,4,14H,3,5H2,1H3,(H,12,13)
InChIKeyVOLABAFMKMZNON-UHFFFAOYSA-N
MW275.10 g/mol
LogP2.18
Rot. Bonds4

About 3-(3-bromo-2-hydroxy-4-methoxyphenyl)propanoic acid

3-(3-bromo-2-hydroxy-4-methoxyphenyl)propanoic acid (PubChem CID 84810610) has the molecular formula C10H11BrO4 and a molecular weight of 275.10 g/mol. Its IUPAC name is 3-(3-bromo-2-hydroxy-4-methoxyphenyl)propanoic acid.

Molecular Properties

Compound Name3-(3-bromo-2-hydroxy-4-methoxyphenyl)propanoic acid
PubChem CID84810610
Molecular FormulaC10H11BrO4
Molecular Weight275.10 g/mol
Exact Mass273.98
IUPAC Name3-(3-bromo-2-hydroxy-4-methoxyphenyl)propanoic acid
SMILESCOc1ccc(CCC(=O)O)c(O)c1Br
InChIInChI=1S/C10H11BrO4/c1-15-7-4-2-6(3-5-8(12)13)10(14)9(7)11/h2,4,14H,3,5H2,1H3,(H,12,13)
InChIKeyVOLABAFMKMZNON-UHFFFAOYSA-N
XLogP2.18
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.10
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(3-bromo-2-hydroxy-4-methoxyphenyl)propanoic 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

3-(2-hydroxy-3,4-dimethoxyphenyl)propanoic acid
CID 117325047
3-(3-bromo-2-hydroxy-4-methylphenyl)propanoic acid
CID 84709646
3-(3-bromo-2-hydroxy-4-methoxyphenyl)-2-methylpropanoic acid
CID 84814594
3-bromo-2-(2-carboxyethyl)-6-methoxybenzoic acid
CID 131881631
3-[2-[[5-(2-carboxyethyl)-4-[[5-(2-carboxyethyl)-4-[[5-(2-carboxyethyl)-4-[[5-(2-carboxyethyl)-4-[[5-(2-carboxyethyl)-4-[[5-(2-carboxyethyl)-4-[[5-(2-carboxyethyl)-4-[2-[2-(2-carboxyethyl)-4-[[2-(2-carboxyethyl)-4-[[2-(2-carboxyethyl)-4-[[2-(2-carboxyethyl)-4-[[2-(2-carboxyethyl)-4-[[2-(2-carboxyethyl)-4-[[2-(2-carboxyethyl)-4-[[2-(2-carboxyethyl)-5-hydroxyphenyl]methyl]-5-methoxyphenyl]methyl]-5-methoxyphenyl]methyl]-5-methoxyphenyl]methyl]-5-methoxyphenyl]methyl]-5-methoxyphenyl]methyl]-5-methoxyphenyl]methyl]-5-methoxyphenyl]ethyl]-2-methoxyphenyl]methyl]-2-methoxyphenyl]methyl]-2-methoxyphenyl]methyl]-2-methoxyphenyl]methyl]-2-methoxyphenyl]methyl]-2-methoxyphenyl]methyl]-2-methoxyphenyl]methyl]-4-hydroxyphenyl]propanoic acid
CID 22866678
2-(2-bromo-3,6-dimethoxyphenyl)acetic acid
CID 84810613
2-(2-bromo-6-hydroxy-3-methoxyphenyl)acetic acid
CID 84806650
3-(3-bromo-2,5-dimethoxy-4-methylphenyl)propanoic acid
CID 117488026
3-(2,4-difluoro-3-hydroxy-5-methoxyphenyl)propanoic acid
CID 117335780
3-(4-ethyl-2-methoxyphenyl)propanoic acid
CID 91883544
3-(5-ethyl-2-methoxyphenyl)propanoic acid
CID 82126594
4-(2-bromo-6-hydroxy-5-methoxy-3-methylphenyl)butanoic acid
CID 117488061

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-2-hydroxy-4-methoxyphenyl)propanoic acid?
The IUPAC name of 3-(3-bromo-2-hydroxy-4-methoxyphenyl)propanoic acid (CID 84810610) is 3-(3-bromo-2-hydroxy-4-methoxyphenyl)propanoic acid.
What is the SMILES notation for 3-(3-bromo-2-hydroxy-4-methoxyphenyl)propanoic acid?
The canonical SMILES for 3-(3-bromo-2-hydroxy-4-methoxyphenyl)propanoic acid is COc1ccc(CCC(=O)O)c(O)c1Br.
What is the InChIKey of 3-(3-bromo-2-hydroxy-4-methoxyphenyl)propanoic acid?
The InChIKey is VOLABAFMKMZNON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrO4/c1-15-7-4-2-6(3-5-8(12)13)10(14)9(7)11/h2,4,14H,3,5H2,1H3,(H,12,13).
What are the key properties of 3-(3-bromo-2-hydroxy-4-methoxyphenyl)propanoic acid?
3-(3-bromo-2-hydroxy-4-methoxyphenyl)propanoic acid has a molecular weight of 275.10 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-2-hydroxy-4-methoxyphenyl)propanoic acid is sourced from PubChem (CID 84810610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).