(4-bromothiophen-2-yl)-(2,3-dihydro-1-benzofuran-7-yl)methanone

C13H9BrO2S — CID 114744119

IUPAC(4-bromothiophen-2-yl)-(2,3-dihydro-1-benzofuran-7-yl)methanone
SMILESO=C(c1cc(Br)cs1)c1cccc2c1OCC2
InChIInChI=1S/C13H9BrO2S/c14-9-6-11(17-7-9)12(15)10-3-1-2-8-4-5-16-13(8)10/h1-3,6-7H,4-5H2
InChIKeyWFXYGNFVQPDWMT-UHFFFAOYSA-N
MW309.18 g/mol
LogP3.68
Rot. Bonds2

About (4-bromothiophen-2-yl)-(2,3-dihydro-1-benzofuran-7-yl)methanone

(4-bromothiophen-2-yl)-(2,3-dihydro-1-benzofuran-7-yl)methanone (PubChem CID 114744119) has the molecular formula C13H9BrO2S and a molecular weight of 309.18 g/mol. Its IUPAC name is (4-bromothiophen-2-yl)-(2,3-dihydro-1-benzofuran-7-yl)methanone.

Molecular Properties

Compound Name(4-bromothiophen-2-yl)-(2,3-dihydro-1-benzofuran-7-yl)methanone
PubChem CID114744119
Molecular FormulaC13H9BrO2S
Molecular Weight309.18 g/mol
Exact Mass307.95
IUPAC Name(4-bromothiophen-2-yl)-(2,3-dihydro-1-benzofuran-7-yl)methanone
SMILESO=C(c1cc(Br)cs1)c1cccc2c1OCC2
InChIInChI=1S/C13H9BrO2S/c14-9-6-11(17-7-9)12(15)10-3-1-2-8-4-5-16-13(8)10/h1-3,6-7H,4-5H2
InChIKeyWFXYGNFVQPDWMT-UHFFFAOYSA-N
XLogP3.68
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.18
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4-bromothiophen-2-yl)-(2,3-dihydro-1-benzofuran-7-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-bromothiophen-2-yl)-(3,4-dihydro-2H-chromen-8-yl)methanone
CID 114744120
(2,5-dibromothiophen-3-yl)-(2,3-dihydro-1-benzofuran-7-yl)methanone
CID 107967846
2,3-dihydro-1-benzofuran-7-yl-(5-methylthiophen-2-yl)methanone
CID 115814343
(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-(2,6-dimethylphenyl)methanone
CID 114026900
2,3-dihydro-1-benzofuran-7-carboxylic acid;hydrochloride
CID 70040488
(4-tert-butylphenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone
CID 115814188
(3-bromo-5-methylphenyl)-(3,4-dihydro-2H-chromen-8-yl)methanone
CID 115811284
(4-chloro-3-fluorophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone
CID 107996809
(5-chloro-2-methylphenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone
CID 115814244
2-chloro-1-(2,3-dihydro-1-benzofuran-7-yl)ethanone
CID 25002538

Frequently Asked Questions

What is the IUPAC name of (4-bromothiophen-2-yl)-(2,3-dihydro-1-benzofuran-7-yl)methanone?
The IUPAC name of (4-bromothiophen-2-yl)-(2,3-dihydro-1-benzofuran-7-yl)methanone (CID 114744119) is (4-bromothiophen-2-yl)-(2,3-dihydro-1-benzofuran-7-yl)methanone.
What is the SMILES notation for (4-bromothiophen-2-yl)-(2,3-dihydro-1-benzofuran-7-yl)methanone?
The canonical SMILES for (4-bromothiophen-2-yl)-(2,3-dihydro-1-benzofuran-7-yl)methanone is O=C(c1cc(Br)cs1)c1cccc2c1OCC2.
What is the InChIKey of (4-bromothiophen-2-yl)-(2,3-dihydro-1-benzofuran-7-yl)methanone?
The InChIKey is WFXYGNFVQPDWMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrO2S/c14-9-6-11(17-7-9)12(15)10-3-1-2-8-4-5-16-13(8)10/h1-3,6-7H,4-5H2.
What are the key properties of (4-bromothiophen-2-yl)-(2,3-dihydro-1-benzofuran-7-yl)methanone?
(4-bromothiophen-2-yl)-(2,3-dihydro-1-benzofuran-7-yl)methanone has a molecular weight of 309.18 g/mol, XLogP of 3.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromothiophen-2-yl)-(2,3-dihydro-1-benzofuran-7-yl)methanone is sourced from PubChem (CID 114744119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).