methyl 2-bromo-2-(4-methoxyphenyl)acetate

C10H11BrO3 — CID 10753737

IUPACmethyl 2-bromo-2-(4-methoxyphenyl)acetate
SMILESCOC(=O)C(Br)c1ccc(OC)cc1
InChIInChI=1S/C10H11BrO3/c1-13-8-5-3-7(4-6-8)9(11)10(12)14-2/h3-6,9H,1-2H3
InChIKeyYICYREKXXVXWCS-UHFFFAOYSA-N
MW259.10 g/mol
LogP2.30
Rot. Bonds3

About methyl 2-bromo-2-(4-methoxyphenyl)acetate

methyl 2-bromo-2-(4-methoxyphenyl)acetate (PubChem CID 10753737) has the molecular formula C10H11BrO3 and a molecular weight of 259.10 g/mol. Its IUPAC name is methyl 2-bromo-2-(4-methoxyphenyl)acetate.

Molecular Properties

Compound Namemethyl 2-bromo-2-(4-methoxyphenyl)acetate
PubChem CID10753737
Molecular FormulaC10H11BrO3
Molecular Weight259.10 g/mol
Exact Mass257.99
IUPAC Namemethyl 2-bromo-2-(4-methoxyphenyl)acetate
SMILESCOC(=O)C(Br)c1ccc(OC)cc1
InChIInChI=1S/C10H11BrO3/c1-13-8-5-3-7(4-6-8)9(11)10(12)14-2/h3-6,9H,1-2H3
InChIKeyYICYREKXXVXWCS-UHFFFAOYSA-N
XLogP2.30
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.10
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze methyl 2-bromo-2-(4-methoxyphenyl)acetate 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 (2S)-2-bromo-2-[4-(dibromomethyl)phenyl]acetate
CID 98077076
methyl (2R)-2-bromo-2-(4-fluorophenyl)acetate
CID 41166941
(2S)-2-bromo-1,2-bis(4-methoxyphenyl)ethanone
CID 40529587
methyl 4-(1-bromo-2-methoxy-2-oxoethyl)benzoate
CID 121006519
methyl 2-bromo-2-[4-(dimethylamino)phenyl]acetate
CID 58583827
dimethyl 2,5-bis(4-methoxyphenyl)-3,4-dioxohexanedioate
CID 11165893
CID 88961149
CID 88961149
methyl (2S,3R)-2,3-dihydroxy-3-(4-methoxyphenyl)propanoate
CID 11042413
methyl (2R,3S)-2,3-diamino-3-(4-methoxyphenyl)propanoate
CID 135055623
methyl 2-bromo-2-(4-propylphenyl)acetate
CID 87953523
methyl 2-(4-methoxyphenyl)-2-(4-methoxyphenyl)sulfanylacetate
CID 132582668
methyl 2-fluoro-3-hydroxy-3-(4-methoxyphenyl)propanoate
CID 105485252

Frequently Asked Questions

What is the IUPAC name of methyl 2-bromo-2-(4-methoxyphenyl)acetate?
The IUPAC name of methyl 2-bromo-2-(4-methoxyphenyl)acetate (CID 10753737) is methyl 2-bromo-2-(4-methoxyphenyl)acetate.
What is the SMILES notation for methyl 2-bromo-2-(4-methoxyphenyl)acetate?
The canonical SMILES for methyl 2-bromo-2-(4-methoxyphenyl)acetate is COC(=O)C(Br)c1ccc(OC)cc1.
What is the InChIKey of methyl 2-bromo-2-(4-methoxyphenyl)acetate?
The InChIKey is YICYREKXXVXWCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrO3/c1-13-8-5-3-7(4-6-8)9(11)10(12)14-2/h3-6,9H,1-2H3.
What are the key properties of methyl 2-bromo-2-(4-methoxyphenyl)acetate?
methyl 2-bromo-2-(4-methoxyphenyl)acetate has a molecular weight of 259.10 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-bromo-2-(4-methoxyphenyl)acetate is sourced from PubChem (CID 10753737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).