5-(4-methylphenyl)-3,5-diphenylfuran-2-one

C23H18O2 — CID 12559993

IUPAC5-(4-methylphenyl)-3,5-diphenylfuran-2-one
SMILESCc1ccc(C2(c3ccccc3)C=C(c3ccccc3)C(=O)O2)cc1
InChIInChI=1S/C23H18O2/c1-17-12-14-20(15-13-17)23(19-10-6-3-7-11-19)16-21(22(24)25-23)18-8-4-2-5-9-18/h2-16H,1H3
InChIKeyNJSFUYIXKGEOOP-UHFFFAOYSA-N
MW326.40 g/mol
LogP4.88
Rot. Bonds3

About 5-(4-methylphenyl)-3,5-diphenylfuran-2-one

5-(4-methylphenyl)-3,5-diphenylfuran-2-one (PubChem CID 12559993) has the molecular formula C23H18O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 5-(4-methylphenyl)-3,5-diphenylfuran-2-one.

Molecular Properties

Compound Name5-(4-methylphenyl)-3,5-diphenylfuran-2-one
PubChem CID12559993
Molecular FormulaC23H18O2
Molecular Weight326.40 g/mol
Exact Mass326.13
IUPAC Name5-(4-methylphenyl)-3,5-diphenylfuran-2-one
SMILESCc1ccc(C2(c3ccccc3)C=C(c3ccccc3)C(=O)O2)cc1
InChIInChI=1S/C23H18O2/c1-17-12-14-20(15-13-17)23(19-10-6-3-7-11-19)16-21(22(24)25-23)18-8-4-2-5-9-18/h2-16H,1H3
InChIKeyNJSFUYIXKGEOOP-UHFFFAOYSA-N
XLogP4.88
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-hydroxy-1-(4-methylphenyl)-3,5-diphenylpyrrol-2-one
CID 72546126
(1S,5R)-1,3,5,6,7-pentakis-phenyl-8-oxabicyclo[3.2.1]octa-3,6-dien-2-one
CID 10929217
2-hydroxy-2-(4-methylphenyl)-5-phenylfuran-3-one
CID 135029124
6-[1,1-bis(2,2,4-triphenylchromen-6-yl)ethyl]-2,2,4-triphenylchromene
CID 138498468
2,6-dimethyl-2,4-diphenylchromene
CID 132534957
ethane;1-methyl-4-[4-(4-phenylphenyl)phenyl]benzene
CID 142405863
ethane;bis(1-methyl-4-phenylbenzene);bis(1,4-xylene)
CID 159318661
3,3-bis(4-methylphenyl)-5,5-diphenyldioxolane
CID 14493901
(2S)-2-(bromomethyl)-6-(4-methylphenyl)-2-phenyl-1,3-dioxin-4-one
CID 7019400
4-hydroxy-2-(4-methylphenyl)-2-phenyl-3H-pyran-6-one
CID 70113074
3-methyl-3-(4-phenylphenyl)-2-benzofuran-1-one
CID 100934650
(3R,6S)-3,6-bis(4-methylphenoxy)-3,6-diphenyl-1,4-dioxane-2,5-dione
CID 39353102

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)-3,5-diphenylfuran-2-one?
The IUPAC name of 5-(4-methylphenyl)-3,5-diphenylfuran-2-one (CID 12559993) is 5-(4-methylphenyl)-3,5-diphenylfuran-2-one.
What is the SMILES notation for 5-(4-methylphenyl)-3,5-diphenylfuran-2-one?
The canonical SMILES for 5-(4-methylphenyl)-3,5-diphenylfuran-2-one is Cc1ccc(C2(c3ccccc3)C=C(c3ccccc3)C(=O)O2)cc1.
What is the InChIKey of 5-(4-methylphenyl)-3,5-diphenylfuran-2-one?
The InChIKey is NJSFUYIXKGEOOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18O2/c1-17-12-14-20(15-13-17)23(19-10-6-3-7-11-19)16-21(22(24)25-23)18-8-4-2-5-9-18/h2-16H,1H3.
What are the key properties of 5-(4-methylphenyl)-3,5-diphenylfuran-2-one?
5-(4-methylphenyl)-3,5-diphenylfuran-2-one has a molecular weight of 326.40 g/mol, XLogP of 4.88, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)-3,5-diphenylfuran-2-one is sourced from PubChem (CID 12559993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).