(3,6-dimethyl-2,5-diphenyl-2H-1,4-dioxin-3-yl) acetate

C20H20O4 — CID 575749

IUPAC(3,6-dimethyl-2,5-diphenyl-2H-1,4-dioxin-3-yl) acetate
SMILESCC(=O)OC1(C)OC(c2ccccc2)=C(C)OC1c1ccccc1
InChIInChI=1S/C20H20O4/c1-14-18(16-10-6-4-7-11-16)24-20(3,23-15(2)21)19(22-14)17-12-8-5-9-13-17/h4-13,19H,1-3H3
InChIKeyMFVROLVSIUEWIG-UHFFFAOYSA-N
MW324.38 g/mol
LogP4.44
Rot. Bonds3

About (3,6-dimethyl-2,5-diphenyl-2H-1,4-dioxin-3-yl) acetate

(3,6-dimethyl-2,5-diphenyl-2H-1,4-dioxin-3-yl) acetate (PubChem CID 575749) has the molecular formula C20H20O4 and a molecular weight of 324.38 g/mol. Its IUPAC name is (3,6-dimethyl-2,5-diphenyl-2H-1,4-dioxin-3-yl) acetate.

Molecular Properties

Compound Name(3,6-dimethyl-2,5-diphenyl-2H-1,4-dioxin-3-yl) acetate
PubChem CID575749
Molecular FormulaC20H20O4
Molecular Weight324.38 g/mol
Exact Mass324.14
IUPAC Name(3,6-dimethyl-2,5-diphenyl-2H-1,4-dioxin-3-yl) acetate
SMILESCC(=O)OC1(C)OC(c2ccccc2)=C(C)OC1c1ccccc1
InChIInChI=1S/C20H20O4/c1-14-18(16-10-6-4-7-11-16)24-20(3,23-15(2)21)19(22-14)17-12-8-5-9-13-17/h4-13,19H,1-3H3
InChIKeyMFVROLVSIUEWIG-UHFFFAOYSA-N
XLogP4.44
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3,6-dimethyl-2,5-diphenyl-2H-1,4-dioxin-3-yl) acetate?
The IUPAC name of (3,6-dimethyl-2,5-diphenyl-2H-1,4-dioxin-3-yl) acetate (CID 575749) is (3,6-dimethyl-2,5-diphenyl-2H-1,4-dioxin-3-yl) acetate.
What is the SMILES notation for (3,6-dimethyl-2,5-diphenyl-2H-1,4-dioxin-3-yl) acetate?
The canonical SMILES for (3,6-dimethyl-2,5-diphenyl-2H-1,4-dioxin-3-yl) acetate is CC(=O)OC1(C)OC(c2ccccc2)=C(C)OC1c1ccccc1.
What is the InChIKey of (3,6-dimethyl-2,5-diphenyl-2H-1,4-dioxin-3-yl) acetate?
The InChIKey is MFVROLVSIUEWIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O4/c1-14-18(16-10-6-4-7-11-16)24-20(3,23-15(2)21)19(22-14)17-12-8-5-9-13-17/h4-13,19H,1-3H3.
What are the key properties of (3,6-dimethyl-2,5-diphenyl-2H-1,4-dioxin-3-yl) acetate?
(3,6-dimethyl-2,5-diphenyl-2H-1,4-dioxin-3-yl) acetate has a molecular weight of 324.38 g/mol, XLogP of 4.44, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,6-dimethyl-2,5-diphenyl-2H-1,4-dioxin-3-yl) acetate is sourced from PubChem (CID 575749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).