2-propan-2-yl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzoxazole

C12H13NO3 — CID 82230850

IUPAC2-propan-2-yl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzoxazole
SMILESCC(C)c1nc2cc3c(cc2o1)OCCO3
InChIInChI=1S/C12H13NO3/c1-7(2)12-13-8-5-10-11(6-9(8)16-12)15-4-3-14-10/h5-7H,3-4H2,1-2H3
InChIKeyMHXWJEBIPJZUGB-UHFFFAOYSA-N
MW219.24 g/mol
LogP2.72
Rot. Bonds1

About 2-propan-2-yl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzoxazole

2-propan-2-yl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzoxazole (PubChem CID 82230850) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is 2-propan-2-yl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzoxazole.

Molecular Properties

Compound Name2-propan-2-yl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzoxazole
PubChem CID82230850
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC Name2-propan-2-yl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzoxazole
SMILESCC(C)c1nc2cc3c(cc2o1)OCCO3
InChIInChI=1S/C12H13NO3/c1-7(2)12-13-8-5-10-11(6-9(8)16-12)15-4-3-14-10/h5-7H,3-4H2,1-2H3
InChIKeyMHXWJEBIPJZUGB-UHFFFAOYSA-N
XLogP2.72
TPSA44.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzoxazole?
The IUPAC name of 2-propan-2-yl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzoxazole (CID 82230850) is 2-propan-2-yl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzoxazole.
What is the SMILES notation for 2-propan-2-yl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzoxazole?
The canonical SMILES for 2-propan-2-yl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzoxazole is CC(C)c1nc2cc3c(cc2o1)OCCO3.
What is the InChIKey of 2-propan-2-yl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzoxazole?
The InChIKey is MHXWJEBIPJZUGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3/c1-7(2)12-13-8-5-10-11(6-9(8)16-12)15-4-3-14-10/h5-7H,3-4H2,1-2H3.
What are the key properties of 2-propan-2-yl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzoxazole?
2-propan-2-yl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzoxazole has a molecular weight of 219.24 g/mol, XLogP of 2.72, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzoxazole is sourced from PubChem (CID 82230850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).