3,3-diphenyl-2-propan-2-ylidene-1,4-benzodioxine

C23H20O2 — CID 154003113

IUPAC3,3-diphenyl-2-propan-2-ylidene-1,4-benzodioxine
SMILESCC(C)=C1Oc2ccccc2OC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H20O2/c1-17(2)22-23(18-11-5-3-6-12-18,19-13-7-4-8-14-19)25-21-16-10-9-15-20(21)24-22/h3-16H,1-2H3
InChIKeyQPIXYHIHTCUZBF-UHFFFAOYSA-N
MW328.41 g/mol
LogP5.70
Rot. Bonds2

About 3,3-diphenyl-2-propan-2-ylidene-1,4-benzodioxine

3,3-diphenyl-2-propan-2-ylidene-1,4-benzodioxine (PubChem CID 154003113) has the molecular formula C23H20O2 and a molecular weight of 328.41 g/mol. Its IUPAC name is 3,3-diphenyl-2-propan-2-ylidene-1,4-benzodioxine.

Molecular Properties

Compound Name3,3-diphenyl-2-propan-2-ylidene-1,4-benzodioxine
PubChem CID154003113
Molecular FormulaC23H20O2
Molecular Weight328.41 g/mol
Exact Mass328.15
IUPAC Name3,3-diphenyl-2-propan-2-ylidene-1,4-benzodioxine
SMILESCC(C)=C1Oc2ccccc2OC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H20O2/c1-17(2)22-23(18-11-5-3-6-12-18,19-13-7-4-8-14-19)25-21-16-10-9-15-20(21)24-22/h3-16H,1-2H3
InChIKeyQPIXYHIHTCUZBF-UHFFFAOYSA-N
XLogP5.70
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.41
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-diphenyl-2-propan-2-ylidene-1,4-benzodioxine?
The IUPAC name of 3,3-diphenyl-2-propan-2-ylidene-1,4-benzodioxine (CID 154003113) is 3,3-diphenyl-2-propan-2-ylidene-1,4-benzodioxine.
What is the SMILES notation for 3,3-diphenyl-2-propan-2-ylidene-1,4-benzodioxine?
The canonical SMILES for 3,3-diphenyl-2-propan-2-ylidene-1,4-benzodioxine is CC(C)=C1Oc2ccccc2OC1(c1ccccc1)c1ccccc1.
What is the InChIKey of 3,3-diphenyl-2-propan-2-ylidene-1,4-benzodioxine?
The InChIKey is QPIXYHIHTCUZBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20O2/c1-17(2)22-23(18-11-5-3-6-12-18,19-13-7-4-8-14-19)25-21-16-10-9-15-20(21)24-22/h3-16H,1-2H3.
What are the key properties of 3,3-diphenyl-2-propan-2-ylidene-1,4-benzodioxine?
3,3-diphenyl-2-propan-2-ylidene-1,4-benzodioxine has a molecular weight of 328.41 g/mol, XLogP of 5.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diphenyl-2-propan-2-ylidene-1,4-benzodioxine is sourced from PubChem (CID 154003113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).