6-(4-methoxyphenyl)-2-methyl-2-phenyl-1,3-dioxin-4-one

C18H16O4 — CID 2931438

IUPAC6-(4-methoxyphenyl)-2-methyl-2-phenyl-1,3-dioxin-4-one
SMILESCOc1ccc(C2=CC(=O)OC(C)(c3ccccc3)O2)cc1
InChIInChI=1S/C18H16O4/c1-18(14-6-4-3-5-7-14)21-16(12-17(19)22-18)13-8-10-15(20-2)11-9-13/h3-12H,1-2H3
InChIKeyWUPCZDORAWJMRX-UHFFFAOYSA-N
MW296.32 g/mol
LogP3.48
Rot. Bonds3

About 6-(4-methoxyphenyl)-2-methyl-2-phenyl-1,3-dioxin-4-one

6-(4-methoxyphenyl)-2-methyl-2-phenyl-1,3-dioxin-4-one (PubChem CID 2931438) has the molecular formula C18H16O4 and a molecular weight of 296.32 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-2-methyl-2-phenyl-1,3-dioxin-4-one.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-2-methyl-2-phenyl-1,3-dioxin-4-one
PubChem CID2931438
Molecular FormulaC18H16O4
Molecular Weight296.32 g/mol
Exact Mass296.10
IUPAC Name6-(4-methoxyphenyl)-2-methyl-2-phenyl-1,3-dioxin-4-one
SMILESCOc1ccc(C2=CC(=O)OC(C)(c3ccccc3)O2)cc1
InChIInChI=1S/C18H16O4/c1-18(14-6-4-3-5-7-14)21-16(12-17(19)22-18)13-8-10-15(20-2)11-9-13/h3-12H,1-2H3
InChIKeyWUPCZDORAWJMRX-UHFFFAOYSA-N
XLogP3.48
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-6-(4-chlorophenyl)-2-methyl-2-phenyl-1,3-dioxin-4-one
CID 1294536
6,7-dimethoxy-3-(4-methoxyphenyl)-1-methyl-1-phenylisochromene
CID 132765787
(2S)-2-(bromomethyl)-6-(4-methylphenyl)-2-phenyl-1,3-dioxin-4-one
CID 7019400
5-(4-methoxyphenyl)-3,3-dimethylfuran-2-one
CID 71442207
4-[(4E)-4-[(4-methoxyphenyl)methylidene]-5,5-diphenylfuran-2-yl]benzonitrile
CID 102082418
1-[3-bromo-2-(4-methoxyphenyl)-3-phenylcyclopropen-1-yl]-4-methoxybenzene
CID 134870119
(4S,5S)-4-(4-methoxyphenyl)-5-phenyl-5-(trifluoromethyl)oxolan-2-one
CID 102284704
phenyl (3R)-5-(4-methoxyphenyl)-3-methyl-2-oxofuran-3-carboxylate
CID 101389682
(2S)-2-benzyl-4-(4-methoxyphenyl)-2-methylcyclopent-4-ene-1,3-dione
CID 134952495
[(4S,5S)-5-[hydroxy-bis(4-methoxyphenyl)methyl]-2-methyl-2-phenyl-1,3-dioxolan-4-yl]-bis(4-methoxyphenyl)methanol
CID 22847896
3-[4-[2,4-bis(4-methoxyphenyl)-3-oxo-5-phenylcyclopenta-1,4-dien-1-yl]phenyl]-2,5-bis(4-methoxyphenyl)-4-phenylcyclopenta-2,4-dien-1-one
CID 70843008
2-(4-methoxyphenyl)-2-phenylindene-1,3-dione
CID 10664026

Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-2-methyl-2-phenyl-1,3-dioxin-4-one?
The IUPAC name of 6-(4-methoxyphenyl)-2-methyl-2-phenyl-1,3-dioxin-4-one (CID 2931438) is 6-(4-methoxyphenyl)-2-methyl-2-phenyl-1,3-dioxin-4-one.
What is the SMILES notation for 6-(4-methoxyphenyl)-2-methyl-2-phenyl-1,3-dioxin-4-one?
The canonical SMILES for 6-(4-methoxyphenyl)-2-methyl-2-phenyl-1,3-dioxin-4-one is COc1ccc(C2=CC(=O)OC(C)(c3ccccc3)O2)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)-2-methyl-2-phenyl-1,3-dioxin-4-one?
The InChIKey is WUPCZDORAWJMRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O4/c1-18(14-6-4-3-5-7-14)21-16(12-17(19)22-18)13-8-10-15(20-2)11-9-13/h3-12H,1-2H3.
What are the key properties of 6-(4-methoxyphenyl)-2-methyl-2-phenyl-1,3-dioxin-4-one?
6-(4-methoxyphenyl)-2-methyl-2-phenyl-1,3-dioxin-4-one has a molecular weight of 296.32 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-2-methyl-2-phenyl-1,3-dioxin-4-one is sourced from PubChem (CID 2931438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).