2-(5-bromo-2-hydroxy-4-methoxy-3-methylphenyl)-2-hydroxyacetic acid

C10H11BrO5 — CID 117470010

IUPAC2-(5-bromo-2-hydroxy-4-methoxy-3-methylphenyl)-2-hydroxyacetic acid
SMILESCOc1c(Br)cc(C(O)C(=O)O)c(O)c1C
InChIInChI=1S/C10H11BrO5/c1-4-7(12)5(8(13)10(14)15)3-6(11)9(4)16-2/h3,8,12-13H,1-2H3,(H,14,15)
InChIKeyBFMXYCFSBUDRML-UHFFFAOYSA-N
MW291.10 g/mol
LogP1.59
Rot. Bonds3

About 2-(5-bromo-2-hydroxy-4-methoxy-3-methylphenyl)-2-hydroxyacetic acid

2-(5-bromo-2-hydroxy-4-methoxy-3-methylphenyl)-2-hydroxyacetic acid (PubChem CID 117470010) has the molecular formula C10H11BrO5 and a molecular weight of 291.10 g/mol. Its IUPAC name is 2-(5-bromo-2-hydroxy-4-methoxy-3-methylphenyl)-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-(5-bromo-2-hydroxy-4-methoxy-3-methylphenyl)-2-hydroxyacetic acid
PubChem CID117470010
Molecular FormulaC10H11BrO5
Molecular Weight291.10 g/mol
Exact Mass289.98
IUPAC Name2-(5-bromo-2-hydroxy-4-methoxy-3-methylphenyl)-2-hydroxyacetic acid
SMILESCOc1c(Br)cc(C(O)C(=O)O)c(O)c1C
InChIInChI=1S/C10H11BrO5/c1-4-7(12)5(8(13)10(14)15)3-6(11)9(4)16-2/h3,8,12-13H,1-2H3,(H,14,15)
InChIKeyBFMXYCFSBUDRML-UHFFFAOYSA-N
XLogP1.59
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.10
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-(5-bromo-2-hydroxy-4-methoxy-3-methylphenyl)-2-hydroxyacetic 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

methyl 2-(5-bromo-2-hydroxy-4-methoxy-3-methylphenyl)-2-hydroxyacetate
CID 117490300
2-(5-bromo-4-fluoro-2-hydroxy-3-methoxyphenyl)-2-hydroxyacetic acid
CID 117475568
2-(4-bromo-2-hydroxy-3-methoxyphenyl)-2-hydroxyacetic acid
CID 117443520
2-(5-bromo-2-hydroxy-3-methoxy-4-methylphenyl)propanoic acid
CID 117466832
(2R)-2-(3-bromo-4,5-dimethoxyphenyl)-2-hydroxyacetic acid
CID 66728449
2-(5-chloro-4-fluoro-2-hydroxy-3-methoxyphenyl)-2-hydroxyacetic acid
CID 117379954
2-(2,5-dibromo-4-methylphenyl)-2-hydroxyacetic acid
CID 171003131
2-(4-bromo-3-fluoro-2-methoxyphenyl)-2-hydroxyacetic acid
CID 117447207
2-hydroxy-2-(2,4,5-tribromophenyl)acetic acid
CID 119006562
(2S)-2-(2-bromo-5-methoxyphenyl)-2-hydroxyacetic acid
CID 131437530
2-hydroxy-2-(2-hydroxy-3,4-dimethoxyphenyl)acetic acid
CID 117328303
2-(2-bromo-5-methoxyphenyl)-2-hydroxyacetic acid
CID 69148385

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-hydroxy-4-methoxy-3-methylphenyl)-2-hydroxyacetic acid?
The IUPAC name of 2-(5-bromo-2-hydroxy-4-methoxy-3-methylphenyl)-2-hydroxyacetic acid (CID 117470010) is 2-(5-bromo-2-hydroxy-4-methoxy-3-methylphenyl)-2-hydroxyacetic acid.
What is the SMILES notation for 2-(5-bromo-2-hydroxy-4-methoxy-3-methylphenyl)-2-hydroxyacetic acid?
The canonical SMILES for 2-(5-bromo-2-hydroxy-4-methoxy-3-methylphenyl)-2-hydroxyacetic acid is COc1c(Br)cc(C(O)C(=O)O)c(O)c1C.
What is the InChIKey of 2-(5-bromo-2-hydroxy-4-methoxy-3-methylphenyl)-2-hydroxyacetic acid?
The InChIKey is BFMXYCFSBUDRML-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrO5/c1-4-7(12)5(8(13)10(14)15)3-6(11)9(4)16-2/h3,8,12-13H,1-2H3,(H,14,15).
What are the key properties of 2-(5-bromo-2-hydroxy-4-methoxy-3-methylphenyl)-2-hydroxyacetic acid?
2-(5-bromo-2-hydroxy-4-methoxy-3-methylphenyl)-2-hydroxyacetic acid has a molecular weight of 291.10 g/mol, XLogP of 1.59, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-hydroxy-4-methoxy-3-methylphenyl)-2-hydroxyacetic acid is sourced from PubChem (CID 117470010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).