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

C17H16O2 — CID 114743978

IUPAC2,3-dihydro-1-benzofuran-7-yl-(4-ethylphenyl)methanone
SMILESCCc1ccc(C(=O)c2cccc3c2OCC3)cc1
InChIInChI=1S/C17H16O2/c1-2-12-6-8-13(9-7-12)16(18)15-5-3-4-14-10-11-19-17(14)15/h3-9H,2,10-11H2,1H3
InChIKeyBWOPDUFDOAUZSX-UHFFFAOYSA-N
MW252.31 g/mol
LogP3.41
Rot. Bonds3

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

2,3-dihydro-1-benzofuran-7-yl-(4-ethylphenyl)methanone (PubChem CID 114743978) 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-(4-ethylphenyl)methanone.

Molecular Properties

Compound Name2,3-dihydro-1-benzofuran-7-yl-(4-ethylphenyl)methanone
PubChem CID114743978
Molecular FormulaC17H16O2
Molecular Weight252.31 g/mol
Exact Mass252.12
IUPAC Name2,3-dihydro-1-benzofuran-7-yl-(4-ethylphenyl)methanone
SMILESCCc1ccc(C(=O)c2cccc3c2OCC3)cc1
InChIInChI=1S/C17H16O2/c1-2-12-6-8-13(9-7-12)16(18)15-5-3-4-14-10-11-19-17(14)15/h3-9H,2,10-11H2,1H3
InChIKeyBWOPDUFDOAUZSX-UHFFFAOYSA-N
XLogP3.41
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-tert-butylphenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone
CID 115814188
2,3-dihydro-1-benzofuran-7-yl-(3-methoxy-4-methylphenyl)methanone
CID 115814389
2,3-dihydro-1-benzofuran-7-yl-(2,6-dimethylphenyl)methanone
CID 114026900
1-(2,3-dihydro-1-benzofuran-7-yl)-2-ethylsulfanylethanone
CID 114744136
(4-chloro-3-fluorophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone
CID 107996809
2,3-dihydro-1-benzofuran-7-yl-(4-fluoro-3-methoxyphenyl)methanone
CID 115814405
1-(2,3-dihydro-1-benzofuran-7-yl)-2-(methylamino)ethanone
CID 96750554
2,3-dihydro-1-benzofuran-7-yl-(5-methyl-3-pyridinyl)methanone
CID 105135078
1-(2,3-dihydro-1-benzofuran-7-yl)-2-methylbutan-1-one
CID 114744106
1-(2,3-dihydro-1-benzofuran-7-yl)-2-methylsulfanylethanone
CID 114744072
2,3-dihydro-1-benzofuran-7-carboxylic acid;hydrochloride
CID 70040488
1-(2,3-dihydro-1-benzofuran-7-yl)-2-(ethylamino)ethanone
CID 114747824

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1-benzofuran-7-yl-(4-ethylphenyl)methanone?
The IUPAC name of 2,3-dihydro-1-benzofuran-7-yl-(4-ethylphenyl)methanone (CID 114743978) is 2,3-dihydro-1-benzofuran-7-yl-(4-ethylphenyl)methanone.
What is the SMILES notation for 2,3-dihydro-1-benzofuran-7-yl-(4-ethylphenyl)methanone?
The canonical SMILES for 2,3-dihydro-1-benzofuran-7-yl-(4-ethylphenyl)methanone is CCc1ccc(C(=O)c2cccc3c2OCC3)cc1.
What is the InChIKey of 2,3-dihydro-1-benzofuran-7-yl-(4-ethylphenyl)methanone?
The InChIKey is BWOPDUFDOAUZSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O2/c1-2-12-6-8-13(9-7-12)16(18)15-5-3-4-14-10-11-19-17(14)15/h3-9H,2,10-11H2,1H3.
What are the key properties of 2,3-dihydro-1-benzofuran-7-yl-(4-ethylphenyl)methanone?
2,3-dihydro-1-benzofuran-7-yl-(4-ethylphenyl)methanone has a molecular weight of 252.31 g/mol, XLogP of 3.41, 3 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-(4-ethylphenyl)methanone is sourced from PubChem (CID 114743978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).