indeno[1,2-d][1,3]dioxine

C11H8O2 — CID 87169428

IUPACindeno[1,2-d][1,3]dioxine
SMILESC1=C2C=c3ccccc3=C2OCO1
InChIInChI=1S/C11H8O2/c1-2-4-10-8(3-1)5-9-6-12-7-13-11(9)10/h1-6H,7H2
InChIKeyVMVIUNMWTKHAPZ-UHFFFAOYSA-N
MW172.18 g/mol
LogP0.48
Rot. Bonds

About indeno[1,2-d][1,3]dioxine

indeno[1,2-d][1,3]dioxine (PubChem CID 87169428) has the molecular formula C11H8O2 and a molecular weight of 172.18 g/mol. Its IUPAC name is indeno[1,2-d][1,3]dioxine.

Molecular Properties

Compound Nameindeno[1,2-d][1,3]dioxine
PubChem CID87169428
Molecular FormulaC11H8O2
Molecular Weight172.18 g/mol
Exact Mass172.05
IUPAC Nameindeno[1,2-d][1,3]dioxine
SMILESC1=C2C=c3ccccc3=C2OCO1
InChIInChI=1S/C11H8O2/c1-2-4-10-8(3-1)5-9-6-12-7-13-11(9)10/h1-6H,7H2
InChIKeyVMVIUNMWTKHAPZ-UHFFFAOYSA-N
XLogP0.48
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of indeno[1,2-d][1,3]dioxine?
The IUPAC name of indeno[1,2-d][1,3]dioxine (CID 87169428) is indeno[1,2-d][1,3]dioxine.
What is the SMILES notation for indeno[1,2-d][1,3]dioxine?
The canonical SMILES for indeno[1,2-d][1,3]dioxine is C1=C2C=c3ccccc3=C2OCO1.
What is the InChIKey of indeno[1,2-d][1,3]dioxine?
The InChIKey is VMVIUNMWTKHAPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8O2/c1-2-4-10-8(3-1)5-9-6-12-7-13-11(9)10/h1-6H,7H2.
What are the key properties of indeno[1,2-d][1,3]dioxine?
indeno[1,2-d][1,3]dioxine has a molecular weight of 172.18 g/mol, XLogP of 0.48, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for indeno[1,2-d][1,3]dioxine is sourced from PubChem (CID 87169428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).