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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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).