methyl 3-acetyl-5-bromo-4-hydroxybenzoate

C10H9BrO4 — CID 15818980

IUPACmethyl 3-acetyl-5-bromo-4-hydroxybenzoate
SMILESCOC(=O)c1cc(Br)c(O)c(C(C)=O)c1
InChIInChI=1S/C10H9BrO4/c1-5(12)7-3-6(10(14)15-2)4-8(11)9(7)13/h3-4,13H,1-2H3
InChIKeyRUCFCAIVBNFCSY-UHFFFAOYSA-N
MW273.08 g/mol
LogP2.14
Rot. Bonds2

About methyl 3-acetyl-5-bromo-4-hydroxybenzoate

methyl 3-acetyl-5-bromo-4-hydroxybenzoate (PubChem CID 15818980) has the molecular formula C10H9BrO4 and a molecular weight of 273.08 g/mol. Its IUPAC name is methyl 3-acetyl-5-bromo-4-hydroxybenzoate.

Molecular Properties

Compound Namemethyl 3-acetyl-5-bromo-4-hydroxybenzoate
PubChem CID15818980
Molecular FormulaC10H9BrO4
Molecular Weight273.08 g/mol
Exact Mass271.97
IUPAC Namemethyl 3-acetyl-5-bromo-4-hydroxybenzoate
SMILESCOC(=O)c1cc(Br)c(O)c(C(C)=O)c1
InChIInChI=1S/C10H9BrO4/c1-5(12)7-3-6(10(14)15-2)4-8(11)9(7)13/h3-4,13H,1-2H3
InChIKeyRUCFCAIVBNFCSY-UHFFFAOYSA-N
XLogP2.14
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.08
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 3-acetyl-5-bromo-4-hydroxybenzoate 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

dimethyl 5-bromo-4-chlorobenzene-1,3-dicarboxylate
CID 15839798
dimethyl 2,6-dibromobenzene-1,4-dicarboxylate
CID 23245049
methyl 3-bromo-4-hydroxy-5-(1-hydroxyethyl)benzoate
CID 163691960
1-[3-bromo-5-(difluoromethyl)-2-hydroxyphenyl]ethanone
CID 131573369
methyl 3-bromo-5-chloro-2-hydroxybenzoate
CID 53419622
dimethyl 4-acetylbenzene-1,3-dicarboxylate
CID 69333095
methyl 3-bromo-4-hydroxy-5-(2-methylprop-2-enyl)benzoate;methyl 4-hydroxy-3-(2-methylprop-2-enyl)benzoate
CID 160874727
ethane;methyl 3-bromo-4-hydroxybenzoate
CID 143655068
methyl 3,5-dibromo-4-isocyanobenzoate
CID 139088496
methyl 4-azido-3,5-dibromobenzoate
CID 15005123
methyl 4-[(3,5-dibromo-2,6-dihydroxybenzoyl)amino]benzoate
CID 10160753
methyl 3-bromo-5-ethoxy-2-hydroxybenzoate
CID 90416815

Frequently Asked Questions

What is the IUPAC name of methyl 3-acetyl-5-bromo-4-hydroxybenzoate?
The IUPAC name of methyl 3-acetyl-5-bromo-4-hydroxybenzoate (CID 15818980) is methyl 3-acetyl-5-bromo-4-hydroxybenzoate.
What is the SMILES notation for methyl 3-acetyl-5-bromo-4-hydroxybenzoate?
The canonical SMILES for methyl 3-acetyl-5-bromo-4-hydroxybenzoate is COC(=O)c1cc(Br)c(O)c(C(C)=O)c1.
What is the InChIKey of methyl 3-acetyl-5-bromo-4-hydroxybenzoate?
The InChIKey is RUCFCAIVBNFCSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrO4/c1-5(12)7-3-6(10(14)15-2)4-8(11)9(7)13/h3-4,13H,1-2H3.
What are the key properties of methyl 3-acetyl-5-bromo-4-hydroxybenzoate?
methyl 3-acetyl-5-bromo-4-hydroxybenzoate has a molecular weight of 273.08 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-acetyl-5-bromo-4-hydroxybenzoate is sourced from PubChem (CID 15818980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).