2-phenylspiro[1,3-dioxane-5,3'-2H-chromene]-4'-one

C18H16O4 — CID 1478538

IUPAC2-phenylspiro[1,3-dioxane-5,3'-2H-chromene]-4'-one
SMILESO=C1c2ccccc2OCC12COC(c1ccccc1)OC2
InChIInChI=1S/C18H16O4/c19-16-14-8-4-5-9-15(14)20-10-18(16)11-21-17(22-12-18)13-6-2-1-3-7-13/h1-9,17H,10-12H2
InChIKeyKEMQCBLZIXZANK-UHFFFAOYSA-N
MW296.32 g/mol
LogP2.99
Rot. Bonds1

About 2-phenylspiro[1,3-dioxane-5,3'-2H-chromene]-4'-one

2-phenylspiro[1,3-dioxane-5,3'-2H-chromene]-4'-one (PubChem CID 1478538) has the molecular formula C18H16O4 and a molecular weight of 296.32 g/mol. Its IUPAC name is 2-phenylspiro[1,3-dioxane-5,3'-2H-chromene]-4'-one.

Molecular Properties

Compound Name2-phenylspiro[1,3-dioxane-5,3'-2H-chromene]-4'-one
PubChem CID1478538
Molecular FormulaC18H16O4
Molecular Weight296.32 g/mol
Exact Mass296.10
IUPAC Name2-phenylspiro[1,3-dioxane-5,3'-2H-chromene]-4'-one
SMILESO=C1c2ccccc2OCC12COC(c1ccccc1)OC2
InChIInChI=1S/C18H16O4/c19-16-14-8-4-5-9-15(14)20-10-18(16)11-21-17(22-12-18)13-6-2-1-3-7-13/h1-9,17H,10-12H2
InChIKeyKEMQCBLZIXZANK-UHFFFAOYSA-N
XLogP2.99
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-phenylspiro[1,3-dioxane-5,3'-2H-chromene]-4'-one?
The IUPAC name of 2-phenylspiro[1,3-dioxane-5,3'-2H-chromene]-4'-one (CID 1478538) is 2-phenylspiro[1,3-dioxane-5,3'-2H-chromene]-4'-one.
What is the SMILES notation for 2-phenylspiro[1,3-dioxane-5,3'-2H-chromene]-4'-one?
The canonical SMILES for 2-phenylspiro[1,3-dioxane-5,3'-2H-chromene]-4'-one is O=C1c2ccccc2OCC12COC(c1ccccc1)OC2.
What is the InChIKey of 2-phenylspiro[1,3-dioxane-5,3'-2H-chromene]-4'-one?
The InChIKey is KEMQCBLZIXZANK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O4/c19-16-14-8-4-5-9-15(14)20-10-18(16)11-21-17(22-12-18)13-6-2-1-3-7-13/h1-9,17H,10-12H2.
What are the key properties of 2-phenylspiro[1,3-dioxane-5,3'-2H-chromene]-4'-one?
2-phenylspiro[1,3-dioxane-5,3'-2H-chromene]-4'-one has a molecular weight of 296.32 g/mol, XLogP of 2.99, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylspiro[1,3-dioxane-5,3'-2H-chromene]-4'-one is sourced from PubChem (CID 1478538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).