1-(3-bromofuran-2-yl)-2-(3,4-dimethylphenyl)ethanone

C14H13BrO2 — CID 63943802

IUPAC1-(3-bromofuran-2-yl)-2-(3,4-dimethylphenyl)ethanone
SMILESCc1ccc(CC(=O)c2occc2Br)cc1C
InChIInChI=1S/C14H13BrO2/c1-9-3-4-11(7-10(9)2)8-13(16)14-12(15)5-6-17-14/h3-7H,8H2,1-2H3
InChIKeyFILVWIVNXCNQIN-UHFFFAOYSA-N
MW293.16 g/mol
LogP4.08
Rot. Bonds3

About 1-(3-bromofuran-2-yl)-2-(3,4-dimethylphenyl)ethanone

1-(3-bromofuran-2-yl)-2-(3,4-dimethylphenyl)ethanone (PubChem CID 63943802) has the molecular formula C14H13BrO2 and a molecular weight of 293.16 g/mol. Its IUPAC name is 1-(3-bromofuran-2-yl)-2-(3,4-dimethylphenyl)ethanone.

Molecular Properties

Compound Name1-(3-bromofuran-2-yl)-2-(3,4-dimethylphenyl)ethanone
PubChem CID63943802
Molecular FormulaC14H13BrO2
Molecular Weight293.16 g/mol
Exact Mass292.01
IUPAC Name1-(3-bromofuran-2-yl)-2-(3,4-dimethylphenyl)ethanone
SMILESCc1ccc(CC(=O)c2occc2Br)cc1C
InChIInChI=1S/C14H13BrO2/c1-9-3-4-11(7-10(9)2)8-13(16)14-12(15)5-6-17-14/h3-7H,8H2,1-2H3
InChIKeyFILVWIVNXCNQIN-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-(3-bromofuran-2-yl)-2-(3,5-dimethylphenyl)ethanone
CID 63943212
1-(3-bromofuran-2-yl)-2-(3-bromophenyl)ethanone
CID 63941449
1-(3-bromofuran-2-yl)-2-(4-tert-butyl-2,6-dimethylphenyl)ethanone
CID 63943797
1-(2-chlorofuran-3-yl)-2-(3,4-dimethylphenyl)ethanone
CID 106687696
1-(2,4-dibromophenyl)-2-(3,4-dimethylphenyl)ethanone
CID 114019091
2-(3,4-dimethylphenyl)-1-(5-methylfuran-3-yl)ethanone
CID 114821172
2-(4-iodophenyl)-1-(3-methylfuran-2-yl)ethanone
CID 104799652
1-(3-bromofuran-2-yl)-2-(4-bromothiophen-2-yl)ethanone
CID 164655288
2-(4-ethylphenyl)-1-(3-methylfuran-2-yl)ethanone
CID 104799512
1-(3-bromo-5-methylphenyl)-2-(3,4-dimethylphenyl)ethanone
CID 104853112
1-(3-bromofuran-2-yl)-2-(2,4-difluorophenyl)ethanone
CID 64561569
2-(3,4-dimethylphenyl)-1-(4-fluoro-3,5-dimethylphenyl)ethanone
CID 65299275

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromofuran-2-yl)-2-(3,4-dimethylphenyl)ethanone?
The IUPAC name of 1-(3-bromofuran-2-yl)-2-(3,4-dimethylphenyl)ethanone (CID 63943802) is 1-(3-bromofuran-2-yl)-2-(3,4-dimethylphenyl)ethanone.
What is the SMILES notation for 1-(3-bromofuran-2-yl)-2-(3,4-dimethylphenyl)ethanone?
The canonical SMILES for 1-(3-bromofuran-2-yl)-2-(3,4-dimethylphenyl)ethanone is Cc1ccc(CC(=O)c2occc2Br)cc1C.
What is the InChIKey of 1-(3-bromofuran-2-yl)-2-(3,4-dimethylphenyl)ethanone?
The InChIKey is FILVWIVNXCNQIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrO2/c1-9-3-4-11(7-10(9)2)8-13(16)14-12(15)5-6-17-14/h3-7H,8H2,1-2H3.
What are the key properties of 1-(3-bromofuran-2-yl)-2-(3,4-dimethylphenyl)ethanone?
1-(3-bromofuran-2-yl)-2-(3,4-dimethylphenyl)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-(3-bromofuran-2-yl)-2-(3,4-dimethylphenyl)ethanone is sourced from PubChem (CID 63943802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).