methyl 2-(3-bromo-4-hydroxyphenyl)acetate

C9H9BrO3 — CID 10634081

IUPACmethyl 2-(3-bromo-4-hydroxyphenyl)acetate
SMILESCOC(=O)Cc1ccc(O)c(Br)c1
InChIInChI=1S/C9H9BrO3/c1-13-9(12)5-6-2-3-8(11)7(10)4-6/h2-4,11H,5H2,1H3
InChIKeyFYKFTMDYVSKEGK-UHFFFAOYSA-N
MW245.07 g/mol
LogP1.87
Rot. Bonds2

About methyl 2-(3-bromo-4-hydroxyphenyl)acetate

methyl 2-(3-bromo-4-hydroxyphenyl)acetate (PubChem CID 10634081) has the molecular formula C9H9BrO3 and a molecular weight of 245.07 g/mol. Its IUPAC name is methyl 2-(3-bromo-4-hydroxyphenyl)acetate.

Molecular Properties

Compound Namemethyl 2-(3-bromo-4-hydroxyphenyl)acetate
PubChem CID10634081
Molecular FormulaC9H9BrO3
Molecular Weight245.07 g/mol
Exact Mass243.97
IUPAC Namemethyl 2-(3-bromo-4-hydroxyphenyl)acetate
SMILESCOC(=O)Cc1ccc(O)c(Br)c1
InChIInChI=1S/C9H9BrO3/c1-13-9(12)5-6-2-3-8(11)7(10)4-6/h2-4,11H,5H2,1H3
InChIKeyFYKFTMDYVSKEGK-UHFFFAOYSA-N
XLogP1.87
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.07
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 2-(3-bromo-4-hydroxyphenyl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-bromo-4-hydroxyphenyl)acetate?
The IUPAC name of methyl 2-(3-bromo-4-hydroxyphenyl)acetate (CID 10634081) is methyl 2-(3-bromo-4-hydroxyphenyl)acetate.
What is the SMILES notation for methyl 2-(3-bromo-4-hydroxyphenyl)acetate?
The canonical SMILES for methyl 2-(3-bromo-4-hydroxyphenyl)acetate is COC(=O)Cc1ccc(O)c(Br)c1.
What is the InChIKey of methyl 2-(3-bromo-4-hydroxyphenyl)acetate?
The InChIKey is FYKFTMDYVSKEGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrO3/c1-13-9(12)5-6-2-3-8(11)7(10)4-6/h2-4,11H,5H2,1H3.
What are the key properties of methyl 2-(3-bromo-4-hydroxyphenyl)acetate?
methyl 2-(3-bromo-4-hydroxyphenyl)acetate has a molecular weight of 245.07 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-bromo-4-hydroxyphenyl)acetate is sourced from PubChem (CID 10634081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).