1-(3-bromofuran-2-yl)-2-(3-bromophenyl)ethanone

C12H8Br2O2 — CID 63941449

IUPAC1-(3-bromofuran-2-yl)-2-(3-bromophenyl)ethanone
SMILESO=C(Cc1cccc(Br)c1)c1occc1Br
InChIInChI=1S/C12H8Br2O2/c13-9-3-1-2-8(6-9)7-11(15)12-10(14)4-5-16-12/h1-6H,7H2
InChIKeyOHHZMBCSNZOIND-UHFFFAOYSA-N
MW344.00 g/mol
LogP4.23
Rot. Bonds3

About 1-(3-bromofuran-2-yl)-2-(3-bromophenyl)ethanone

1-(3-bromofuran-2-yl)-2-(3-bromophenyl)ethanone (PubChem CID 63941449) has the molecular formula C12H8Br2O2 and a molecular weight of 344.00 g/mol. Its IUPAC name is 1-(3-bromofuran-2-yl)-2-(3-bromophenyl)ethanone.

Molecular Properties

Compound Name1-(3-bromofuran-2-yl)-2-(3-bromophenyl)ethanone
PubChem CID63941449
Molecular FormulaC12H8Br2O2
Molecular Weight344.00 g/mol
Exact Mass341.89
IUPAC Name1-(3-bromofuran-2-yl)-2-(3-bromophenyl)ethanone
SMILESO=C(Cc1cccc(Br)c1)c1occc1Br
InChIInChI=1S/C12H8Br2O2/c13-9-3-1-2-8(6-9)7-11(15)12-10(14)4-5-16-12/h1-6H,7H2
InChIKeyOHHZMBCSNZOIND-UHFFFAOYSA-N
XLogP4.23
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.00
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromofuran-2-yl)-2-(3-fluorophenyl)ethanone
CID 63941843
1-(3-bromofuran-2-yl)-2-(3,5-dimethylphenyl)ethanone
CID 63943212
2-(3-bromophenyl)acetate
CID 3608673
2-(3-bromophenyl)-1-(5-chlorofuran-2-yl)ethanone
CID 106687687
bromo 2-(3-bromophenyl)acetate
CID 174910278
2-(3-bromophenyl)acetamide
CID 11736027
2-(3-bromophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)ethanone
CID 63020393
1-(3-bromofuran-2-yl)-2-(3-bromophenyl)ethanol
CID 63942630
2-(3-bromophenyl)-1-(4-ethylphenyl)ethanone
CID 60797716
1-(3-bromofuran-2-yl)-2-(4-tert-butyl-2,6-dimethylphenyl)ethanone
CID 63943797
iodo 2-(3-bromophenyl)acetate
CID 155449676
1-[2-(2-aminoethyl)phenyl]-2-(3-bromophenyl)ethanone
CID 116577493

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromofuran-2-yl)-2-(3-bromophenyl)ethanone?
The IUPAC name of 1-(3-bromofuran-2-yl)-2-(3-bromophenyl)ethanone (CID 63941449) is 1-(3-bromofuran-2-yl)-2-(3-bromophenyl)ethanone.
What is the SMILES notation for 1-(3-bromofuran-2-yl)-2-(3-bromophenyl)ethanone?
The canonical SMILES for 1-(3-bromofuran-2-yl)-2-(3-bromophenyl)ethanone is O=C(Cc1cccc(Br)c1)c1occc1Br.
What is the InChIKey of 1-(3-bromofuran-2-yl)-2-(3-bromophenyl)ethanone?
The InChIKey is OHHZMBCSNZOIND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Br2O2/c13-9-3-1-2-8(6-9)7-11(15)12-10(14)4-5-16-12/h1-6H,7H2.
What are the key properties of 1-(3-bromofuran-2-yl)-2-(3-bromophenyl)ethanone?
1-(3-bromofuran-2-yl)-2-(3-bromophenyl)ethanone has a molecular weight of 344.00 g/mol, XLogP of 4.23, 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-bromophenyl)ethanone is sourced from PubChem (CID 63941449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).