methyl 2-(4-acetyl-2-bromophenoxy)acetate

C11H11BrO4 — CID 66868355

IUPACmethyl 2-(4-acetyl-2-bromophenoxy)acetate
SMILESCOC(=O)COc1ccc(C(C)=O)cc1Br
InChIInChI=1S/C11H11BrO4/c1-7(13)8-3-4-10(9(12)5-8)16-6-11(14)15-2/h3-5H,6H2,1-2H3
InChIKeyUFTMTMFFPPRMDW-UHFFFAOYSA-N
MW287.11 g/mol
LogP2.20
Rot. Bonds4

About methyl 2-(4-acetyl-2-bromophenoxy)acetate

methyl 2-(4-acetyl-2-bromophenoxy)acetate (PubChem CID 66868355) has the molecular formula C11H11BrO4 and a molecular weight of 287.11 g/mol. Its IUPAC name is methyl 2-(4-acetyl-2-bromophenoxy)acetate.

Molecular Properties

Compound Namemethyl 2-(4-acetyl-2-bromophenoxy)acetate
PubChem CID66868355
Molecular FormulaC11H11BrO4
Molecular Weight287.11 g/mol
Exact Mass285.98
IUPAC Namemethyl 2-(4-acetyl-2-bromophenoxy)acetate
SMILESCOC(=O)COc1ccc(C(C)=O)cc1Br
InChIInChI=1S/C11H11BrO4/c1-7(13)8-3-4-10(9(12)5-8)16-6-11(14)15-2/h3-5H,6H2,1-2H3
InChIKeyUFTMTMFFPPRMDW-UHFFFAOYSA-N
XLogP2.20
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.11
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-bromo-4-(2-methylprop-2-enoxy)phenyl]ethanone
CID 84712348
methyl 2-[2-bromo-4-[(propan-2-ylamino)methyl]phenoxy]acetate
CID 63044853
1-[3-bromo-4-(2-cyclopropylethoxy)phenyl]ethanone
CID 106202171
1-[3-bromo-4-(cyclopentylmethoxy)phenyl]ethanone
CID 66322201
methyl 2-(5-bromo-2-methoxyphenoxy)acetate
CID 178201298
methyl 2-[4-(2-aminobutyl)-2-bromophenoxy]acetate
CID 63052363
3-[2-(4-acetyl-2-methoxyphenoxy)acetyl]oxypropyl 2-(4-acetyl-2-methoxyphenoxy)acetate
CID 24677627
2-(4-acetyl-2-methoxyphenoxy)-N-(2-bromophenyl)acetamide
CID 26536729
methyl 2-[2-bromo-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenoxy]acetate
CID 67256823
3-bromo-4-(2-methoxyethoxy)-N-methylbenzamide
CID 15943150
methyl 2-(4-carbamothioyl-2-chlorophenoxy)acetate
CID 61389131
methyl 3-bromo-4-[2-(3-bromoanilino)-2-oxoethoxy]benzoate
CID 36531528

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-acetyl-2-bromophenoxy)acetate?
The IUPAC name of methyl 2-(4-acetyl-2-bromophenoxy)acetate (CID 66868355) is methyl 2-(4-acetyl-2-bromophenoxy)acetate.
What is the SMILES notation for methyl 2-(4-acetyl-2-bromophenoxy)acetate?
The canonical SMILES for methyl 2-(4-acetyl-2-bromophenoxy)acetate is COC(=O)COc1ccc(C(C)=O)cc1Br.
What is the InChIKey of methyl 2-(4-acetyl-2-bromophenoxy)acetate?
The InChIKey is UFTMTMFFPPRMDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrO4/c1-7(13)8-3-4-10(9(12)5-8)16-6-11(14)15-2/h3-5H,6H2,1-2H3.
What are the key properties of methyl 2-(4-acetyl-2-bromophenoxy)acetate?
methyl 2-(4-acetyl-2-bromophenoxy)acetate has a molecular weight of 287.11 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-acetyl-2-bromophenoxy)acetate is sourced from PubChem (CID 66868355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).