cyclopenta[h][1,3]benzodioxine

C11H8O2 — CID 90219376

IUPACcyclopenta[h][1,3]benzodioxine
SMILESC1=Cc2c3c(ccc2=C1)=COCO3
InChIInChI=1S/C11H8O2/c1-2-8-4-5-9-6-12-7-13-11(9)10(8)3-1/h1-6H,7H2
InChIKeyGMZOTIHIRLYWPF-UHFFFAOYSA-N
MW172.18 g/mol
LogP0.60
Rot. Bonds

About cyclopenta[h][1,3]benzodioxine

cyclopenta[h][1,3]benzodioxine (PubChem CID 90219376) has the molecular formula C11H8O2 and a molecular weight of 172.18 g/mol. Its IUPAC name is cyclopenta[h][1,3]benzodioxine.

Molecular Properties

Compound Namecyclopenta[h][1,3]benzodioxine
PubChem CID90219376
Molecular FormulaC11H8O2
Molecular Weight172.18 g/mol
Exact Mass172.05
IUPAC Namecyclopenta[h][1,3]benzodioxine
SMILESC1=Cc2c3c(ccc2=C1)=COCO3
InChIInChI=1S/C11H8O2/c1-2-8-4-5-9-6-12-7-13-11(9)10(8)3-1/h1-6H,7H2
InChIKeyGMZOTIHIRLYWPF-UHFFFAOYSA-N
XLogP0.60
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 ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclopenta[h][1,3]benzodioxine?
The IUPAC name of cyclopenta[h][1,3]benzodioxine (CID 90219376) is cyclopenta[h][1,3]benzodioxine.
What is the SMILES notation for cyclopenta[h][1,3]benzodioxine?
The canonical SMILES for cyclopenta[h][1,3]benzodioxine is C1=Cc2c3c(ccc2=C1)=COCO3.
What is the InChIKey of cyclopenta[h][1,3]benzodioxine?
The InChIKey is GMZOTIHIRLYWPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8O2/c1-2-8-4-5-9-6-12-7-13-11(9)10(8)3-1/h1-6H,7H2.
What are the key properties of cyclopenta[h][1,3]benzodioxine?
cyclopenta[h][1,3]benzodioxine has a molecular weight of 172.18 g/mol, XLogP of 0.60, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta[h][1,3]benzodioxine is sourced from PubChem (CID 90219376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).