1-(4-bromophenyl)ethanone;dimethyl carbonate

C11H13BrO4 — CID 163740245

IUPAC1-(4-bromophenyl)ethanone;dimethyl carbonate
SMILESCC(=O)c1ccc(Br)cc1.COC(=O)OC
InChIInChI=1S/C8H7BrO.C3H6O3/c1-6(10)7-2-4-8(9)5-3-7;1-5-3(4)6-2/h2-5H,1H3;1-2H3
InChIKeyLHCPRLBTFNEDKY-UHFFFAOYSA-N
MW289.13 g/mol
LogP3.05
Rot. Bonds1

About 1-(4-bromophenyl)ethanone;dimethyl carbonate

1-(4-bromophenyl)ethanone;dimethyl carbonate (PubChem CID 163740245) has the molecular formula C11H13BrO4 and a molecular weight of 289.13 g/mol. Its IUPAC name is 1-(4-bromophenyl)ethanone;dimethyl carbonate.

Molecular Properties

Compound Name1-(4-bromophenyl)ethanone;dimethyl carbonate
PubChem CID163740245
Molecular FormulaC11H13BrO4
Molecular Weight289.13 g/mol
Exact Mass288.00
IUPAC Name1-(4-bromophenyl)ethanone;dimethyl carbonate
SMILESCC(=O)c1ccc(Br)cc1.COC(=O)OC
InChIInChI=1S/C8H7BrO.C3H6O3/c1-6(10)7-2-4-8(9)5-3-7;1-5-3(4)6-2/h2-5H,1H3;1-2H3
InChIKeyLHCPRLBTFNEDKY-UHFFFAOYSA-N
XLogP3.05
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.13
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

benzene;1-(4-bromophenyl)ethanone
CID 174710467
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CID 157172690
1-[4-(4-bromoanilino)phenyl]ethanone
CID 11543832
1-(4-bromophenyl)ethanone;butane
CID 69403420
1-[4-[2-(4-bromophenyl)ethynyl]phenyl]ethanone
CID 86068214
dimethyl (Z)-2,3-bis(4-bromobenzoyl)but-2-enedioate
CID 102211494
1-(4-acetylphenyl)ethanone;methane
CID 159515104
[2-(4-bromophenyl)-2-oxoethyl] 2-(4-acetylphenoxy)propanoate
CID 4882816
[2-(4-bromophenyl)-2-oxoethyl] (2S)-2-(4-acetylphenoxy)propanoate
CID 2471598
acetyl 4-bromobenzoate
CID 12637961
N-(4-acetylphenyl)-2-[2-(4-bromoanilino)-2-oxoethyl]sulfanylacetamide
CID 5085970
methyl 2-[(4-bromobenzoyl)amino]propanoate
CID 531405

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)ethanone;dimethyl carbonate?
The IUPAC name of 1-(4-bromophenyl)ethanone;dimethyl carbonate (CID 163740245) is 1-(4-bromophenyl)ethanone;dimethyl carbonate.
What is the SMILES notation for 1-(4-bromophenyl)ethanone;dimethyl carbonate?
The canonical SMILES for 1-(4-bromophenyl)ethanone;dimethyl carbonate is CC(=O)c1ccc(Br)cc1.COC(=O)OC.
What is the InChIKey of 1-(4-bromophenyl)ethanone;dimethyl carbonate?
The InChIKey is LHCPRLBTFNEDKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrO.C3H6O3/c1-6(10)7-2-4-8(9)5-3-7;1-5-3(4)6-2/h2-5H,1H3;1-2H3.
What are the key properties of 1-(4-bromophenyl)ethanone;dimethyl carbonate?
1-(4-bromophenyl)ethanone;dimethyl carbonate has a molecular weight of 289.13 g/mol, XLogP of 3.05, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)ethanone;dimethyl carbonate is sourced from PubChem (CID 163740245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).