(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(2,3-dihydro-1H-inden-2-yl)methanone

C18H15BrO2 — CID 106892614

IUPAC(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(2,3-dihydro-1H-inden-2-yl)methanone
SMILESO=C(c1cc(Br)cc2c1OCC2)C1Cc2ccccc2C1
InChIInChI=1S/C18H15BrO2/c19-15-9-13-5-6-21-18(13)16(10-15)17(20)14-7-11-3-1-2-4-12(11)8-14/h1-4,9-10,14H,5-8H2
InChIKeyFQEMMLDBOHHOKW-UHFFFAOYSA-N
MW343.22 g/mol
LogP3.98
Rot. Bonds2

About (5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(2,3-dihydro-1H-inden-2-yl)methanone

(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(2,3-dihydro-1H-inden-2-yl)methanone (PubChem CID 106892614) has the molecular formula C18H15BrO2 and a molecular weight of 343.22 g/mol. Its IUPAC name is (5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(2,3-dihydro-1H-inden-2-yl)methanone.

Molecular Properties

Compound Name(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(2,3-dihydro-1H-inden-2-yl)methanone
PubChem CID106892614
Molecular FormulaC18H15BrO2
Molecular Weight343.22 g/mol
Exact Mass342.03
IUPAC Name(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(2,3-dihydro-1H-inden-2-yl)methanone
SMILESO=C(c1cc(Br)cc2c1OCC2)C1Cc2ccccc2C1
InChIInChI=1S/C18H15BrO2/c19-15-9-13-5-6-21-18(13)16(10-15)17(20)14-7-11-3-1-2-4-12(11)8-14/h1-4,9-10,14H,5-8H2
InChIKeyFQEMMLDBOHHOKW-UHFFFAOYSA-N
XLogP3.98
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.22
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(2,3-dihydro-1H-inden-2-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

(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(oxolan-3-yl)methanone
CID 104541332
(2-amino-5-fluorophenyl)-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methanone
CID 104544248
1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one
CID 103309448
1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-4-methylpentan-1-one
CID 104541228
(3-amino-5-bromo-2-methylphenyl)-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methanone
CID 107874214
(3-bromo-5-methylphenyl)-(2,3-dihydro-1H-inden-2-yl)methanone
CID 106893022
(2-bromo-5-fluorophenyl)-(2,3-dihydro-1H-inden-2-yl)methanone
CID 106893007
(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-cycloheptylmethanone
CID 113425372
5-bromo-N-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran-7-carboxamide
CID 2821775
1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-3-(oxolan-2-yl)propan-1-one
CID 104541335
1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-3-(oxan-2-yl)propan-1-one
CID 104541265
2-(2-bicyclo[2.2.1]heptanyl)-1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)ethanone
CID 104541247

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(2,3-dihydro-1H-inden-2-yl)methanone?
The IUPAC name of (5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(2,3-dihydro-1H-inden-2-yl)methanone (CID 106892614) is (5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(2,3-dihydro-1H-inden-2-yl)methanone.
What is the SMILES notation for (5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(2,3-dihydro-1H-inden-2-yl)methanone?
The canonical SMILES for (5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(2,3-dihydro-1H-inden-2-yl)methanone is O=C(c1cc(Br)cc2c1OCC2)C1Cc2ccccc2C1.
What is the InChIKey of (5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(2,3-dihydro-1H-inden-2-yl)methanone?
The InChIKey is FQEMMLDBOHHOKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrO2/c19-15-9-13-5-6-21-18(13)16(10-15)17(20)14-7-11-3-1-2-4-12(11)8-14/h1-4,9-10,14H,5-8H2.
What are the key properties of (5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(2,3-dihydro-1H-inden-2-yl)methanone?
(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(2,3-dihydro-1H-inden-2-yl)methanone has a molecular weight of 343.22 g/mol, XLogP of 3.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(2,3-dihydro-1H-inden-2-yl)methanone is sourced from PubChem (CID 106892614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).