2-anthracen-1-yl-1,4-dioxane

C18H16O2 — CID 87717766

IUPAC2-anthracen-1-yl-1,4-dioxane
SMILESc1ccc2cc3c(C4COCCO4)cccc3cc2c1
InChIInChI=1S/C18H16O2/c1-2-5-14-11-17-15(10-13(14)4-1)6-3-7-16(17)18-12-19-8-9-20-18/h1-7,10-11,18H,8-9,12H2
InChIKeyZZZZAIDWEBDEOI-UHFFFAOYSA-N
MW264.32 g/mol
LogP4.08
Rot. Bonds1

About 2-anthracen-1-yl-1,4-dioxane

2-anthracen-1-yl-1,4-dioxane (PubChem CID 87717766) has the molecular formula C18H16O2 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-anthracen-1-yl-1,4-dioxane.

Molecular Properties

Compound Name2-anthracen-1-yl-1,4-dioxane
PubChem CID87717766
Molecular FormulaC18H16O2
Molecular Weight264.32 g/mol
Exact Mass264.12
IUPAC Name2-anthracen-1-yl-1,4-dioxane
SMILESc1ccc2cc3c(C4COCCO4)cccc3cc2c1
InChIInChI=1S/C18H16O2/c1-2-5-14-11-17-15(10-13(14)4-1)6-3-7-16(17)18-12-19-8-9-20-18/h1-7,10-11,18H,8-9,12H2
InChIKeyZZZZAIDWEBDEOI-UHFFFAOYSA-N
XLogP4.08
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-anthracen-1-yl-1,4-dioxane?
The IUPAC name of 2-anthracen-1-yl-1,4-dioxane (CID 87717766) is 2-anthracen-1-yl-1,4-dioxane.
What is the SMILES notation for 2-anthracen-1-yl-1,4-dioxane?
The canonical SMILES for 2-anthracen-1-yl-1,4-dioxane is c1ccc2cc3c(C4COCCO4)cccc3cc2c1.
What is the InChIKey of 2-anthracen-1-yl-1,4-dioxane?
The InChIKey is ZZZZAIDWEBDEOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O2/c1-2-5-14-11-17-15(10-13(14)4-1)6-3-7-16(17)18-12-19-8-9-20-18/h1-7,10-11,18H,8-9,12H2.
What are the key properties of 2-anthracen-1-yl-1,4-dioxane?
2-anthracen-1-yl-1,4-dioxane has a molecular weight of 264.32 g/mol, XLogP of 4.08, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anthracen-1-yl-1,4-dioxane is sourced from PubChem (CID 87717766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).