(2-acetyl-4-bromophenyl) ethyl carbonate

C11H11BrO4 — CID 53429860

IUPAC(2-acetyl-4-bromophenyl) ethyl carbonate
SMILESCCOC(=O)Oc1ccc(Br)cc1C(C)=O
InChIInChI=1S/C11H11BrO4/c1-3-15-11(14)16-10-5-4-8(12)6-9(10)7(2)13/h4-6H,3H2,1-2H3
InChIKeySUWZOOYWFQQTCB-UHFFFAOYSA-N
MW287.11 g/mol
LogP3.19
Rot. Bonds3

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

(2-acetyl-4-bromophenyl) ethyl carbonate (PubChem CID 53429860) has the molecular formula C11H11BrO4 and a molecular weight of 287.11 g/mol. Its IUPAC name is (2-acetyl-4-bromophenyl) ethyl carbonate.

Molecular Properties

Compound Name(2-acetyl-4-bromophenyl) ethyl carbonate
PubChem CID53429860
Molecular FormulaC11H11BrO4
Molecular Weight287.11 g/mol
Exact Mass285.98
IUPAC Name(2-acetyl-4-bromophenyl) ethyl carbonate
SMILESCCOC(=O)Oc1ccc(Br)cc1C(C)=O
InChIInChI=1S/C11H11BrO4/c1-3-15-11(14)16-10-5-4-8(12)6-9(10)7(2)13/h4-6H,3H2,1-2H3
InChIKeySUWZOOYWFQQTCB-UHFFFAOYSA-N
XLogP3.19
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.11
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-(2-acetyl-4-bromophenoxy)butanoate
CID 64661751
1-(5-bromo-2-methoxyphenyl)ethanone
CID 2757029
1-(5-bromo-2-propan-2-yloxyphenyl)ethanone
CID 60643994
methyl (2S)-2-(2-acetyl-4-bromophenoxy)propanoate
CID 94158655
(4-bromo-2-ethoxycarbonylphenyl) 5-bromo-2-ethoxybenzoate
CID 23012871
5-bromo-2-(4-ethoxy-4-oxobutanoyl)oxybenzoic acid
CID 54854349
1-[5-bromo-2-(4-bromophenoxy)phenyl]ethanone
CID 82966680
1-[5-bromo-2-(3-ethoxy-2-hydroxypropoxy)phenyl]ethanone
CID 63931560
1-[5-bromo-2-[2-(bromomethyl)butoxy]phenyl]ethanone
CID 64995105
(2R)-2-(2-acetyl-4-bromophenoxy)-4-methylpentanoic acid
CID 114284684
ethyl 5-tert-butyl-2-ethoxycarbonyloxybenzoate
CID 122517402
1-[5-bromo-2-(3,5-dimethoxyphenoxy)phenyl]ethanone
CID 82956350

Frequently Asked Questions

What is the IUPAC name of (2-acetyl-4-bromophenyl) ethyl carbonate?
The IUPAC name of (2-acetyl-4-bromophenyl) ethyl carbonate (CID 53429860) is (2-acetyl-4-bromophenyl) ethyl carbonate.
What is the SMILES notation for (2-acetyl-4-bromophenyl) ethyl carbonate?
The canonical SMILES for (2-acetyl-4-bromophenyl) ethyl carbonate is CCOC(=O)Oc1ccc(Br)cc1C(C)=O.
What is the InChIKey of (2-acetyl-4-bromophenyl) ethyl carbonate?
The InChIKey is SUWZOOYWFQQTCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrO4/c1-3-15-11(14)16-10-5-4-8(12)6-9(10)7(2)13/h4-6H,3H2,1-2H3.
What are the key properties of (2-acetyl-4-bromophenyl) ethyl carbonate?
(2-acetyl-4-bromophenyl) ethyl carbonate has a molecular weight of 287.11 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-acetyl-4-bromophenyl) ethyl carbonate is sourced from PubChem (CID 53429860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).