(2,5-dibromothiophen-3-yl)-(2,3-dihydro-1-benzofuran-7-yl)methanone

C13H8Br2O2S — CID 107967846

IUPAC(2,5-dibromothiophen-3-yl)-(2,3-dihydro-1-benzofuran-7-yl)methanone
SMILESO=C(c1cc(Br)sc1Br)c1cccc2c1OCC2
InChIInChI=1S/C13H8Br2O2S/c14-10-6-9(13(15)18-10)11(16)8-3-1-2-7-4-5-17-12(7)8/h1-3,6H,4-5H2
InChIKeyLXJBPUHBMUNLNZ-UHFFFAOYSA-N
MW388.08 g/mol
LogP4.44
Rot. Bonds2

About (2,5-dibromothiophen-3-yl)-(2,3-dihydro-1-benzofuran-7-yl)methanone

(2,5-dibromothiophen-3-yl)-(2,3-dihydro-1-benzofuran-7-yl)methanone (PubChem CID 107967846) has the molecular formula C13H8Br2O2S and a molecular weight of 388.08 g/mol. Its IUPAC name is (2,5-dibromothiophen-3-yl)-(2,3-dihydro-1-benzofuran-7-yl)methanone.

Molecular Properties

Compound Name(2,5-dibromothiophen-3-yl)-(2,3-dihydro-1-benzofuran-7-yl)methanone
PubChem CID107967846
Molecular FormulaC13H8Br2O2S
Molecular Weight388.08 g/mol
Exact Mass385.86
IUPAC Name(2,5-dibromothiophen-3-yl)-(2,3-dihydro-1-benzofuran-7-yl)methanone
SMILESO=C(c1cc(Br)sc1Br)c1cccc2c1OCC2
InChIInChI=1S/C13H8Br2O2S/c14-10-6-9(13(15)18-10)11(16)8-3-1-2-7-4-5-17-12(7)8/h1-3,6H,4-5H2
InChIKeyLXJBPUHBMUNLNZ-UHFFFAOYSA-N
XLogP4.44
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.08
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-bromothiophen-2-yl)-(2,3-dihydro-1-benzofuran-7-yl)methanone
CID 114744119
(2-bromo-3-fluorophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone
CID 115814281
(2-bromo-4-chlorophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone
CID 114025606
2,3-dihydro-1-benzofuran-7-yl-(5-methylthiophen-2-yl)methanone
CID 115814343
2,3-dihydro-1-benzofuran-7-yl-(2,6-dimethylphenyl)methanone
CID 114026900
2,3-dihydro-1-benzofuran-7-carboxylic acid;hydrochloride
CID 70040488
(5-chloro-2-methylphenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone
CID 115814244
(4-bromothiophen-2-yl)-(3,4-dihydro-2H-chromen-8-yl)methanone
CID 114744120
2,3-dihydro-1-benzofuran-7-yl-(2,5-dimethoxyphenyl)methanone
CID 115814359
(4-tert-butylphenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone
CID 115814188
(4-chloro-3-fluorophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone
CID 107996809
2-chloro-1-(2,3-dihydro-1-benzofuran-7-yl)ethanone
CID 25002538

Frequently Asked Questions

What is the IUPAC name of (2,5-dibromothiophen-3-yl)-(2,3-dihydro-1-benzofuran-7-yl)methanone?
The IUPAC name of (2,5-dibromothiophen-3-yl)-(2,3-dihydro-1-benzofuran-7-yl)methanone (CID 107967846) is (2,5-dibromothiophen-3-yl)-(2,3-dihydro-1-benzofuran-7-yl)methanone.
What is the SMILES notation for (2,5-dibromothiophen-3-yl)-(2,3-dihydro-1-benzofuran-7-yl)methanone?
The canonical SMILES for (2,5-dibromothiophen-3-yl)-(2,3-dihydro-1-benzofuran-7-yl)methanone is O=C(c1cc(Br)sc1Br)c1cccc2c1OCC2.
What is the InChIKey of (2,5-dibromothiophen-3-yl)-(2,3-dihydro-1-benzofuran-7-yl)methanone?
The InChIKey is LXJBPUHBMUNLNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Br2O2S/c14-10-6-9(13(15)18-10)11(16)8-3-1-2-7-4-5-17-12(7)8/h1-3,6H,4-5H2.
What are the key properties of (2,5-dibromothiophen-3-yl)-(2,3-dihydro-1-benzofuran-7-yl)methanone?
(2,5-dibromothiophen-3-yl)-(2,3-dihydro-1-benzofuran-7-yl)methanone has a molecular weight of 388.08 g/mol, XLogP of 4.44, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dibromothiophen-3-yl)-(2,3-dihydro-1-benzofuran-7-yl)methanone is sourced from PubChem (CID 107967846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).