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

C17H16O2 — CID 43337896

IUPAC2,3-dihydro-1-benzofuran-2-yl-(2,4-dimethylphenyl)methanone
SMILESCc1ccc(C(=O)C2Cc3ccccc3O2)c(C)c1
InChIInChI=1S/C17H16O2/c1-11-7-8-14(12(2)9-11)17(18)16-10-13-5-3-4-6-15(13)19-16/h3-9,16H,10H2,1-2H3
InChIKeyOTCDQPUYPDMMJX-UHFFFAOYSA-N
MW252.31 g/mol
LogP3.49
Rot. Bonds2

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

2,3-dihydro-1-benzofuran-2-yl-(2,4-dimethylphenyl)methanone (PubChem CID 43337896) has the molecular formula C17H16O2 and a molecular weight of 252.31 g/mol. Its IUPAC name is 2,3-dihydro-1-benzofuran-2-yl-(2,4-dimethylphenyl)methanone.

Molecular Properties

Compound Name2,3-dihydro-1-benzofuran-2-yl-(2,4-dimethylphenyl)methanone
PubChem CID43337896
Molecular FormulaC17H16O2
Molecular Weight252.31 g/mol
Exact Mass252.12
IUPAC Name2,3-dihydro-1-benzofuran-2-yl-(2,4-dimethylphenyl)methanone
SMILESCc1ccc(C(=O)C2Cc3ccccc3O2)c(C)c1
InChIInChI=1S/C17H16O2/c1-11-7-8-14(12(2)9-11)17(18)16-10-13-5-3-4-6-15(13)19-16/h3-9,16H,10H2,1-2H3
InChIKeyOTCDQPUYPDMMJX-UHFFFAOYSA-N
XLogP3.49
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 ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-dihydro-2H-chromen-3-yl-(2,4-dimethylphenyl)methanone
CID 65406634
[(2R)-2,3-dihydro-1-benzofuran-2-yl]-(4-methoxyphenyl)methanone
CID 132502479
3,4-dihydro-2H-chromen-3-yl-(2,5-dimethylphenyl)methanone
CID 65409325
N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 51113538
2-chloro-1-[(2S)-2,3-dihydro-1-benzofuran-2-yl]ethanone
CID 93494296
2-chloro-1-(2,3-dihydro-1-benzofuran-2-yl)ethanone
CID 45080935
(2,3,6-trimethylphenyl) 2,3-dihydro-1-benzofuran-2-carboxylate
CID 85460622
2,3-dihydro-1-benzofuran-2-yl-(4-propan-2-yloxyphenyl)methanone
CID 43339571
N-(3-hydroxy-4-methylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 64794939
(2S)-N-(2-methylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 8872415
(3-chlorophenyl)-[(2R)-2,3-dihydro-1-benzofuran-2-yl]methanone
CID 132502482
methyl 2-[2-[(2S)-2,3-dihydro-1-benzofuran-2-carbonyl]anilino]propanoate
CID 54496450

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1-benzofuran-2-yl-(2,4-dimethylphenyl)methanone?
The IUPAC name of 2,3-dihydro-1-benzofuran-2-yl-(2,4-dimethylphenyl)methanone (CID 43337896) is 2,3-dihydro-1-benzofuran-2-yl-(2,4-dimethylphenyl)methanone.
What is the SMILES notation for 2,3-dihydro-1-benzofuran-2-yl-(2,4-dimethylphenyl)methanone?
The canonical SMILES for 2,3-dihydro-1-benzofuran-2-yl-(2,4-dimethylphenyl)methanone is Cc1ccc(C(=O)C2Cc3ccccc3O2)c(C)c1.
What is the InChIKey of 2,3-dihydro-1-benzofuran-2-yl-(2,4-dimethylphenyl)methanone?
The InChIKey is OTCDQPUYPDMMJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O2/c1-11-7-8-14(12(2)9-11)17(18)16-10-13-5-3-4-6-15(13)19-16/h3-9,16H,10H2,1-2H3.
What are the key properties of 2,3-dihydro-1-benzofuran-2-yl-(2,4-dimethylphenyl)methanone?
2,3-dihydro-1-benzofuran-2-yl-(2,4-dimethylphenyl)methanone has a molecular weight of 252.31 g/mol, XLogP of 3.49, 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-2-yl-(2,4-dimethylphenyl)methanone is sourced from PubChem (CID 43337896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).