(2,4-dibromophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone

C15H10Br2O2 — CID 107944745

IUPAC(2,4-dibromophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone
SMILESO=C(c1ccc2c(c1)CCO2)c1ccc(Br)cc1Br
InChIInChI=1S/C15H10Br2O2/c16-11-2-3-12(13(17)8-11)15(18)10-1-4-14-9(7-10)5-6-19-14/h1-4,7-8H,5-6H2
InChIKeyAGWVIQDCIQTLLE-UHFFFAOYSA-N
MW382.05 g/mol
LogP4.38
Rot. Bonds2

About (2,4-dibromophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone

(2,4-dibromophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone (PubChem CID 107944745) has the molecular formula C15H10Br2O2 and a molecular weight of 382.05 g/mol. Its IUPAC name is (2,4-dibromophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone.

Molecular Properties

Compound Name(2,4-dibromophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone
PubChem CID107944745
Molecular FormulaC15H10Br2O2
Molecular Weight382.05 g/mol
Exact Mass379.90
IUPAC Name(2,4-dibromophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone
SMILESO=C(c1ccc2c(c1)CCO2)c1ccc(Br)cc1Br
InChIInChI=1S/C15H10Br2O2/c16-11-2-3-12(13(17)8-11)15(18)10-1-4-14-9(7-10)5-6-19-14/h1-4,7-8H,5-6H2
InChIKeyAGWVIQDCIQTLLE-UHFFFAOYSA-N
XLogP4.38
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.05
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2,4-dibromophenyl)-(2,3-dihydro-1-benzofuran-5-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

(2-bromo-4-methoxyphenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone
CID 62200694
(5-bromo-2-pyridinyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone
CID 115606037
(3-bromofuran-2-yl)-(2,3-dihydro-1-benzofuran-5-yl)methanone
CID 114973436
(2,4-dibromophenyl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanone
CID 107949853
(2-amino-4-bromophenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone
CID 116591847
(2-chloro-4-fluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone
CID 43160534
(3-bromo-2,6-difluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone
CID 106944382
2,3-dihydro-1-benzofuran-5-carboxylic acid
CID 676583
1,3-benzodioxol-5-yl(2,3-dihydro-1-benzofuran-5-yl)methanone
CID 43338483
2,3-dihydro-1-benzofuran-5-yl-[4-(methylamino)phenyl]methanone
CID 116917463
(4-bromo-2-methylphenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone
CID 43629621
(3-bromophenyl)-(2,3,4,5-tetrahydro-1-benzoxepin-7-yl)methanone
CID 10088060

Frequently Asked Questions

What is the IUPAC name of (2,4-dibromophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone?
The IUPAC name of (2,4-dibromophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone (CID 107944745) is (2,4-dibromophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone.
What is the SMILES notation for (2,4-dibromophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone?
The canonical SMILES for (2,4-dibromophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone is O=C(c1ccc2c(c1)CCO2)c1ccc(Br)cc1Br.
What is the InChIKey of (2,4-dibromophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone?
The InChIKey is AGWVIQDCIQTLLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Br2O2/c16-11-2-3-12(13(17)8-11)15(18)10-1-4-14-9(7-10)5-6-19-14/h1-4,7-8H,5-6H2.
What are the key properties of (2,4-dibromophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone?
(2,4-dibromophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone has a molecular weight of 382.05 g/mol, XLogP of 4.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dibromophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone is sourced from PubChem (CID 107944745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).