3,3-diphenyl-1,4-dioxan-2-one

C16H14O3 — CID 146018457

IUPAC3,3-diphenyl-1,4-dioxan-2-one
SMILESO=C1OCCOC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H14O3/c17-15-16(19-12-11-18-15,13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10H,11-12H2
InChIKeyIIXKOQSOYXHXJC-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.50
Rot. Bonds2

About 3,3-diphenyl-1,4-dioxan-2-one

3,3-diphenyl-1,4-dioxan-2-one (PubChem CID 146018457) has the molecular formula C16H14O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is 3,3-diphenyl-1,4-dioxan-2-one.

Molecular Properties

Compound Name3,3-diphenyl-1,4-dioxan-2-one
PubChem CID146018457
Molecular FormulaC16H14O3
Molecular Weight254.29 g/mol
Exact Mass254.09
IUPAC Name3,3-diphenyl-1,4-dioxan-2-one
SMILESO=C1OCCOC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H14O3/c17-15-16(19-12-11-18-15,13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10H,11-12H2
InChIKeyIIXKOQSOYXHXJC-UHFFFAOYSA-N
XLogP2.50
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3-diphenyl-1,4-dioxan-2-one?
The IUPAC name of 3,3-diphenyl-1,4-dioxan-2-one (CID 146018457) is 3,3-diphenyl-1,4-dioxan-2-one.
What is the SMILES notation for 3,3-diphenyl-1,4-dioxan-2-one?
The canonical SMILES for 3,3-diphenyl-1,4-dioxan-2-one is O=C1OCCOC1(c1ccccc1)c1ccccc1.
What is the InChIKey of 3,3-diphenyl-1,4-dioxan-2-one?
The InChIKey is IIXKOQSOYXHXJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O3/c17-15-16(19-12-11-18-15,13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10H,11-12H2.
What are the key properties of 3,3-diphenyl-1,4-dioxan-2-one?
3,3-diphenyl-1,4-dioxan-2-one has a molecular weight of 254.29 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diphenyl-1,4-dioxan-2-one is sourced from PubChem (CID 146018457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).