ethyl 2-(4-acetyl-2-bromophenyl)acetate

C12H13BrO3 — CID 121231889

IUPACethyl 2-(4-acetyl-2-bromophenyl)acetate
SMILESCCOC(=O)Cc1ccc(C(C)=O)cc1Br
InChIInChI=1S/C12H13BrO3/c1-3-16-12(15)7-10-5-4-9(8(2)14)6-11(10)13/h4-6H,3,7H2,1-2H3
InChIKeyMOIUXVFXDQZZPB-UHFFFAOYSA-N
MW285.14 g/mol
LogP2.76
Rot. Bonds4

About ethyl 2-(4-acetyl-2-bromophenyl)acetate

ethyl 2-(4-acetyl-2-bromophenyl)acetate (PubChem CID 121231889) has the molecular formula C12H13BrO3 and a molecular weight of 285.14 g/mol. Its IUPAC name is ethyl 2-(4-acetyl-2-bromophenyl)acetate.

Molecular Properties

Compound Nameethyl 2-(4-acetyl-2-bromophenyl)acetate
PubChem CID121231889
Molecular FormulaC12H13BrO3
Molecular Weight285.14 g/mol
Exact Mass284.00
IUPAC Nameethyl 2-(4-acetyl-2-bromophenyl)acetate
SMILESCCOC(=O)Cc1ccc(C(C)=O)cc1Br
InChIInChI=1S/C12H13BrO3/c1-3-16-12(15)7-10-5-4-9(8(2)14)6-11(10)13/h4-6H,3,7H2,1-2H3
InChIKeyMOIUXVFXDQZZPB-UHFFFAOYSA-N
XLogP2.76
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.14
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[2-bromo-4-(3-bromopropanoyl)phenyl]acetate
CID 134631936
ethyl 2-(4-amino-2-bromophenyl)acetate
CID 170997064
ethyl 2-(2-bromo-4-iodophenyl)acetate
CID 131871493
ethyl 3-bromo-4-(2-oxopropyl)benzoate
CID 134632847
ethyl 2-(3-bromo-4-ethylphenyl)acetate
CID 82643388
ethyl 3-bromo-4-(methoxymethyl)benzoate
CID 81430155
ethyl 2-(4,6-dibromo-3-pyridinyl)acetate
CID 133097252
ethyl 2-(2-bromo-4-fluoro-5-methylphenyl)acetate
CID 171033782
ethyl 4-acetyl-3-bromobenzoate
CID 70257309
ethyl 2-(2,5-dibromo-3,4-difluorophenyl)acetate
CID 121227988
ethyl 2-(2-bromo-4-cyano-5-ethylphenyl)acetate
CID 134652472
ethyl 2-(5-bromo-2-cyano-4-ethylphenyl)acetate
CID 134652496

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-acetyl-2-bromophenyl)acetate?
The IUPAC name of ethyl 2-(4-acetyl-2-bromophenyl)acetate (CID 121231889) is ethyl 2-(4-acetyl-2-bromophenyl)acetate.
What is the SMILES notation for ethyl 2-(4-acetyl-2-bromophenyl)acetate?
The canonical SMILES for ethyl 2-(4-acetyl-2-bromophenyl)acetate is CCOC(=O)Cc1ccc(C(C)=O)cc1Br.
What is the InChIKey of ethyl 2-(4-acetyl-2-bromophenyl)acetate?
The InChIKey is MOIUXVFXDQZZPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrO3/c1-3-16-12(15)7-10-5-4-9(8(2)14)6-11(10)13/h4-6H,3,7H2,1-2H3.
What are the key properties of ethyl 2-(4-acetyl-2-bromophenyl)acetate?
ethyl 2-(4-acetyl-2-bromophenyl)acetate has a molecular weight of 285.14 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-acetyl-2-bromophenyl)acetate is sourced from PubChem (CID 121231889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).