methyl 2-bromo-2-(5-chloro-2-methoxyphenyl)acetate

C10H10BrClO3 — CID 82489876

IUPACmethyl 2-bromo-2-(5-chloro-2-methoxyphenyl)acetate
SMILESCOC(=O)C(Br)c1cc(Cl)ccc1OC
InChIInChI=1S/C10H10BrClO3/c1-14-8-4-3-6(12)5-7(8)9(11)10(13)15-2/h3-5,9H,1-2H3
InChIKeyIWJKPMSVKRLFOB-UHFFFAOYSA-N
MW293.54 g/mol
LogP2.96
Rot. Bonds3

About methyl 2-bromo-2-(5-chloro-2-methoxyphenyl)acetate

methyl 2-bromo-2-(5-chloro-2-methoxyphenyl)acetate (PubChem CID 82489876) has the molecular formula C10H10BrClO3 and a molecular weight of 293.54 g/mol. Its IUPAC name is methyl 2-bromo-2-(5-chloro-2-methoxyphenyl)acetate.

Molecular Properties

Compound Namemethyl 2-bromo-2-(5-chloro-2-methoxyphenyl)acetate
PubChem CID82489876
Molecular FormulaC10H10BrClO3
Molecular Weight293.54 g/mol
Exact Mass291.95
IUPAC Namemethyl 2-bromo-2-(5-chloro-2-methoxyphenyl)acetate
SMILESCOC(=O)C(Br)c1cc(Cl)ccc1OC
InChIInChI=1S/C10H10BrClO3/c1-14-8-4-3-6(12)5-7(8)9(11)10(13)15-2/h3-5,9H,1-2H3
InChIKeyIWJKPMSVKRLFOB-UHFFFAOYSA-N
XLogP2.96
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.54
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl (2S)-2-amino-2-(5-chloro-2-methoxyphenyl)acetate
CID 171215055
2-chloro-2-(5-chloro-2-methoxyphenyl)acetamide
CID 138607352
2-bromo-1-(5-chloro-2-methoxyphenyl)propan-1-ol
CID 116863294
2-bromo-2-chloro-1-(5-chloro-2-methoxyphenyl)ethanone
CID 116863835
4-(5-chloro-2-methoxyphenyl)-4-(dimethylamino)butan-2-one
CID 116910496
1-(5-chloro-2-methoxyphenyl)-N,N'-dimethylmethanediamine
CID 116954303
(1S)-1-(5-chloro-2-methoxyphenyl)ethanamine;hydrochloride
CID 171234656
2-(1-bromobutyl)-4-chloro-1-methoxybenzene
CID 104546547
(1S,2R)-1-amino-1-(5-chloro-2-methoxyphenyl)propan-2-ol
CID 130749346
(E)-4-amino-4-(5-chloro-2-methoxyphenyl)but-2-enoic acid
CID 116940825
2-(5-chloro-2-methoxyphenyl)propane-1,3-diol
CID 82113852
(5-chloro-2-methoxyphenyl) methyl carbonate
CID 170342081

Frequently Asked Questions

What is the IUPAC name of methyl 2-bromo-2-(5-chloro-2-methoxyphenyl)acetate?
The IUPAC name of methyl 2-bromo-2-(5-chloro-2-methoxyphenyl)acetate (CID 82489876) is methyl 2-bromo-2-(5-chloro-2-methoxyphenyl)acetate.
What is the SMILES notation for methyl 2-bromo-2-(5-chloro-2-methoxyphenyl)acetate?
The canonical SMILES for methyl 2-bromo-2-(5-chloro-2-methoxyphenyl)acetate is COC(=O)C(Br)c1cc(Cl)ccc1OC.
What is the InChIKey of methyl 2-bromo-2-(5-chloro-2-methoxyphenyl)acetate?
The InChIKey is IWJKPMSVKRLFOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrClO3/c1-14-8-4-3-6(12)5-7(8)9(11)10(13)15-2/h3-5,9H,1-2H3.
What are the key properties of methyl 2-bromo-2-(5-chloro-2-methoxyphenyl)acetate?
methyl 2-bromo-2-(5-chloro-2-methoxyphenyl)acetate has a molecular weight of 293.54 g/mol, XLogP of 2.96, 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-(5-chloro-2-methoxyphenyl)acetate is sourced from PubChem (CID 82489876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).