6-phenyl-[1,3]dioxolo[4,5-f][1,3]benzoxazole

C14H9NO3 — CID 11481830

IUPAC6-phenyl-[1,3]dioxolo[4,5-f][1,3]benzoxazole
SMILESc1ccc(-c2nc3cc4c(cc3o2)OCO4)cc1
InChIInChI=1S/C14H9NO3/c1-2-4-9(5-3-1)14-15-10-6-12-13(17-8-16-12)7-11(10)18-14/h1-7H,8H2
InChIKeyVAZKZHDGYXWIKL-UHFFFAOYSA-N
MW239.23 g/mol
LogP3.22
Rot. Bonds1

About 6-phenyl-[1,3]dioxolo[4,5-f][1,3]benzoxazole

6-phenyl-[1,3]dioxolo[4,5-f][1,3]benzoxazole (PubChem CID 11481830) has the molecular formula C14H9NO3 and a molecular weight of 239.23 g/mol. Its IUPAC name is 6-phenyl-[1,3]dioxolo[4,5-f][1,3]benzoxazole.

Molecular Properties

Compound Name6-phenyl-[1,3]dioxolo[4,5-f][1,3]benzoxazole
PubChem CID11481830
Molecular FormulaC14H9NO3
Molecular Weight239.23 g/mol
Exact Mass239.06
IUPAC Name6-phenyl-[1,3]dioxolo[4,5-f][1,3]benzoxazole
SMILESc1ccc(-c2nc3cc4c(cc3o2)OCO4)cc1
InChIInChI=1S/C14H9NO3/c1-2-4-9(5-3-1)14-15-10-6-12-13(17-8-16-12)7-11(10)18-14/h1-7H,8H2
InChIKeyVAZKZHDGYXWIKL-UHFFFAOYSA-N
XLogP3.22
TPSA44.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-phenyl-[1,3]dioxolo[4,5-f][1,3]benzoxazole?
The IUPAC name of 6-phenyl-[1,3]dioxolo[4,5-f][1,3]benzoxazole (CID 11481830) is 6-phenyl-[1,3]dioxolo[4,5-f][1,3]benzoxazole.
What is the SMILES notation for 6-phenyl-[1,3]dioxolo[4,5-f][1,3]benzoxazole?
The canonical SMILES for 6-phenyl-[1,3]dioxolo[4,5-f][1,3]benzoxazole is c1ccc(-c2nc3cc4c(cc3o2)OCO4)cc1.
What is the InChIKey of 6-phenyl-[1,3]dioxolo[4,5-f][1,3]benzoxazole?
The InChIKey is VAZKZHDGYXWIKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9NO3/c1-2-4-9(5-3-1)14-15-10-6-12-13(17-8-16-12)7-11(10)18-14/h1-7H,8H2.
What are the key properties of 6-phenyl-[1,3]dioxolo[4,5-f][1,3]benzoxazole?
6-phenyl-[1,3]dioxolo[4,5-f][1,3]benzoxazole has a molecular weight of 239.23 g/mol, XLogP of 3.22, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-[1,3]dioxolo[4,5-f][1,3]benzoxazole is sourced from PubChem (CID 11481830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).