2,3-dihydro-1-benzofuran-7-yl-(2,6-dimethylphenyl)methanone

C17H16O2 — CID 114026900

IUPAC2,3-dihydro-1-benzofuran-7-yl-(2,6-dimethylphenyl)methanone
SMILESCc1cccc(C)c1C(=O)c1cccc2c1OCC2
InChIInChI=1S/C17H16O2/c1-11-5-3-6-12(2)15(11)16(18)14-8-4-7-13-9-10-19-17(13)14/h3-8H,9-10H2,1-2H3
InChIKeyIJJJDUFJEBWGRV-UHFFFAOYSA-N
MW252.31 g/mol
LogP3.47
Rot. Bonds2

About 2,3-dihydro-1-benzofuran-7-yl-(2,6-dimethylphenyl)methanone

2,3-dihydro-1-benzofuran-7-yl-(2,6-dimethylphenyl)methanone (PubChem CID 114026900) has the molecular formula C17H16O2 and a molecular weight of 252.31 g/mol. Its IUPAC name is 2,3-dihydro-1-benzofuran-7-yl-(2,6-dimethylphenyl)methanone.

Molecular Properties

Compound Name2,3-dihydro-1-benzofuran-7-yl-(2,6-dimethylphenyl)methanone
PubChem CID114026900
Molecular FormulaC17H16O2
Molecular Weight252.31 g/mol
Exact Mass252.12
IUPAC Name2,3-dihydro-1-benzofuran-7-yl-(2,6-dimethylphenyl)methanone
SMILESCc1cccc(C)c1C(=O)c1cccc2c1OCC2
InChIInChI=1S/C17H16O2/c1-11-5-3-6-12(2)15(11)16(18)14-8-4-7-13-9-10-19-17(13)14/h3-8H,9-10H2,1-2H3
InChIKeyIJJJDUFJEBWGRV-UHFFFAOYSA-N
XLogP3.47
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,3-dihydro-1-benzofuran-7-yl-(2,6-dimethylphenyl)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

2,3-dihydro-1-benzofuran-7-yl-(3-methyl-2-pyridinyl)methanone
CID 114744044
2,3-dihydro-1-benzofuran-7-yl-(5-methylthiophen-2-yl)methanone
CID 115814343
(5-chloro-2-methylphenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone
CID 115814244
ethane;7-methyl-2,3-dihydro-1-benzofuran
CID 91503061
2,3-dihydro-1-benzofuran-7-yl-(3-methoxy-4-methylphenyl)methanone
CID 115814389
2,3-dihydro-1-benzofuran-7-carboxylic acid;hydrochloride
CID 70040488
(4-tert-butylphenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone
CID 115814188
3,4-dihydro-2H-chromen-8-yl-(2,4,5-trimethylfuran-3-yl)methanone
CID 115811307
1-(2,3-dihydro-1-benzofuran-7-yl)-2-(methylamino)ethanone
CID 96750554
2,3-dihydro-1-benzofuran-7-yl-(4-ethylphenyl)methanone
CID 114743978
2,3-dihydro-1-benzofuran-7-yl-(5-methyl-3-pyridinyl)methanone
CID 105135078
(E)-1-(2,3-dihydro-1-benzofuran-7-yl)but-2-en-1-one
CID 103453398

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1-benzofuran-7-yl-(2,6-dimethylphenyl)methanone?
The IUPAC name of 2,3-dihydro-1-benzofuran-7-yl-(2,6-dimethylphenyl)methanone (CID 114026900) is 2,3-dihydro-1-benzofuran-7-yl-(2,6-dimethylphenyl)methanone.
What is the SMILES notation for 2,3-dihydro-1-benzofuran-7-yl-(2,6-dimethylphenyl)methanone?
The canonical SMILES for 2,3-dihydro-1-benzofuran-7-yl-(2,6-dimethylphenyl)methanone is Cc1cccc(C)c1C(=O)c1cccc2c1OCC2.
What is the InChIKey of 2,3-dihydro-1-benzofuran-7-yl-(2,6-dimethylphenyl)methanone?
The InChIKey is IJJJDUFJEBWGRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O2/c1-11-5-3-6-12(2)15(11)16(18)14-8-4-7-13-9-10-19-17(13)14/h3-8H,9-10H2,1-2H3.
What are the key properties of 2,3-dihydro-1-benzofuran-7-yl-(2,6-dimethylphenyl)methanone?
2,3-dihydro-1-benzofuran-7-yl-(2,6-dimethylphenyl)methanone has a molecular weight of 252.31 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1-benzofuran-7-yl-(2,6-dimethylphenyl)methanone is sourced from PubChem (CID 114026900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).