1-(4-bromo-3,5-dimethylphenyl)-2-(furan-2-yl)ethanone

C14H13BrO2 — CID 114329742

IUPAC1-(4-bromo-3,5-dimethylphenyl)-2-(furan-2-yl)ethanone
SMILESCc1cc(C(=O)Cc2ccco2)cc(C)c1Br
InChIInChI=1S/C14H13BrO2/c1-9-6-11(7-10(2)14(9)15)13(16)8-12-4-3-5-17-12/h3-7H,8H2,1-2H3
InChIKeyFDJQFFQLGGOWDK-UHFFFAOYSA-N
MW293.16 g/mol
LogP4.08
Rot. Bonds3

About 1-(4-bromo-3,5-dimethylphenyl)-2-(furan-2-yl)ethanone

1-(4-bromo-3,5-dimethylphenyl)-2-(furan-2-yl)ethanone (PubChem CID 114329742) has the molecular formula C14H13BrO2 and a molecular weight of 293.16 g/mol. Its IUPAC name is 1-(4-bromo-3,5-dimethylphenyl)-2-(furan-2-yl)ethanone.

Molecular Properties

Compound Name1-(4-bromo-3,5-dimethylphenyl)-2-(furan-2-yl)ethanone
PubChem CID114329742
Molecular FormulaC14H13BrO2
Molecular Weight293.16 g/mol
Exact Mass292.01
IUPAC Name1-(4-bromo-3,5-dimethylphenyl)-2-(furan-2-yl)ethanone
SMILESCc1cc(C(=O)Cc2ccco2)cc(C)c1Br
InChIInChI=1S/C14H13BrO2/c1-9-6-11(7-10(2)14(9)15)13(16)8-12-4-3-5-17-12/h3-7H,8H2,1-2H3
InChIKeyFDJQFFQLGGOWDK-UHFFFAOYSA-N
XLogP4.08
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.16
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4,5-dimethylthiophen-2-yl)-2-(furan-2-yl)ethanone
CID 115795642
1-(4-fluorophenyl)-2-(furan-2-yl)ethanone
CID 83172698
1-(3,4-dichlorophenyl)-2-(furan-2-yl)ethanone
CID 83172219
1-(4-bromo-3,5-dimethylphenyl)-2-(4-ethylphenyl)ethanone
CID 114329542
2-(furan-2-yl)-1-(3-methylthiophen-2-yl)ethanone
CID 115795536
1-[4-(aminomethyl)phenyl]-2-(furan-2-yl)ethanone
CID 116548254
1-(3-bromothiophen-2-yl)-2-(furan-2-yl)ethanone
CID 115795627
1-(4-fluoro-3-methylphenyl)-3-(furan-2-yl)propan-1-one
CID 105095849
3-bromo-N-(furan-2-ylmethyl)-4-methylbenzamide
CID 935017
2-(5-bromo-2-methylphenyl)-N-(furan-2-ylmethyl)acetamide
CID 110774439
1-(4-bromo-3,5-dimethylphenyl)-2-(2-bromo-5-methoxyphenyl)ethanone
CID 114329747
1-(furan-2-yl)-5-methylhexan-2-one
CID 83172823

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3,5-dimethylphenyl)-2-(furan-2-yl)ethanone?
The IUPAC name of 1-(4-bromo-3,5-dimethylphenyl)-2-(furan-2-yl)ethanone (CID 114329742) is 1-(4-bromo-3,5-dimethylphenyl)-2-(furan-2-yl)ethanone.
What is the SMILES notation for 1-(4-bromo-3,5-dimethylphenyl)-2-(furan-2-yl)ethanone?
The canonical SMILES for 1-(4-bromo-3,5-dimethylphenyl)-2-(furan-2-yl)ethanone is Cc1cc(C(=O)Cc2ccco2)cc(C)c1Br.
What is the InChIKey of 1-(4-bromo-3,5-dimethylphenyl)-2-(furan-2-yl)ethanone?
The InChIKey is FDJQFFQLGGOWDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrO2/c1-9-6-11(7-10(2)14(9)15)13(16)8-12-4-3-5-17-12/h3-7H,8H2,1-2H3.
What are the key properties of 1-(4-bromo-3,5-dimethylphenyl)-2-(furan-2-yl)ethanone?
1-(4-bromo-3,5-dimethylphenyl)-2-(furan-2-yl)ethanone has a molecular weight of 293.16 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3,5-dimethylphenyl)-2-(furan-2-yl)ethanone is sourced from PubChem (CID 114329742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).