6-methyl-3,3-diphenyl-6,7-dihydro-5H-1-benzofuran-2,4-dione

C21H18O3 — CID 71519320

IUPAC6-methyl-3,3-diphenyl-6,7-dihydro-5H-1-benzofuran-2,4-dione
SMILESCC1CC(=O)C2=C(C1)OC(=O)C2(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H18O3/c1-14-12-17(22)19-18(13-14)24-20(23)21(19,15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11,14H,12-13H2,1H3
InChIKeyBYYBGXGISTYHDK-UHFFFAOYSA-N
MW318.37 g/mol
LogP3.78
Rot. Bonds2

About 6-methyl-3,3-diphenyl-6,7-dihydro-5H-1-benzofuran-2,4-dione

6-methyl-3,3-diphenyl-6,7-dihydro-5H-1-benzofuran-2,4-dione (PubChem CID 71519320) has the molecular formula C21H18O3 and a molecular weight of 318.37 g/mol. Its IUPAC name is 6-methyl-3,3-diphenyl-6,7-dihydro-5H-1-benzofuran-2,4-dione.

Molecular Properties

Compound Name6-methyl-3,3-diphenyl-6,7-dihydro-5H-1-benzofuran-2,4-dione
PubChem CID71519320
Molecular FormulaC21H18O3
Molecular Weight318.37 g/mol
Exact Mass318.13
IUPAC Name6-methyl-3,3-diphenyl-6,7-dihydro-5H-1-benzofuran-2,4-dione
SMILESCC1CC(=O)C2=C(C1)OC(=O)C2(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H18O3/c1-14-12-17(22)19-18(13-14)24-20(23)21(19,15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11,14H,12-13H2,1H3
InChIKeyBYYBGXGISTYHDK-UHFFFAOYSA-N
XLogP3.78
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3,3-diphenyl-6,7-dihydro-5H-1-benzofuran-2,4-dione?
The IUPAC name of 6-methyl-3,3-diphenyl-6,7-dihydro-5H-1-benzofuran-2,4-dione (CID 71519320) is 6-methyl-3,3-diphenyl-6,7-dihydro-5H-1-benzofuran-2,4-dione.
What is the SMILES notation for 6-methyl-3,3-diphenyl-6,7-dihydro-5H-1-benzofuran-2,4-dione?
The canonical SMILES for 6-methyl-3,3-diphenyl-6,7-dihydro-5H-1-benzofuran-2,4-dione is CC1CC(=O)C2=C(C1)OC(=O)C2(c1ccccc1)c1ccccc1.
What is the InChIKey of 6-methyl-3,3-diphenyl-6,7-dihydro-5H-1-benzofuran-2,4-dione?
The InChIKey is BYYBGXGISTYHDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18O3/c1-14-12-17(22)19-18(13-14)24-20(23)21(19,15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11,14H,12-13H2,1H3.
What are the key properties of 6-methyl-3,3-diphenyl-6,7-dihydro-5H-1-benzofuran-2,4-dione?
6-methyl-3,3-diphenyl-6,7-dihydro-5H-1-benzofuran-2,4-dione has a molecular weight of 318.37 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3,3-diphenyl-6,7-dihydro-5H-1-benzofuran-2,4-dione is sourced from PubChem (CID 71519320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).