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

C18H18N2O2 — CID 25249358

IUPAC2-phenyl-3-propan-2-yl-6,7-dihydro-[1,4]dioxino[2,3-f]indazole
SMILESCC(C)c1c2cc3c(cc2nn1-c1ccccc1)OCCO3
InChIInChI=1S/C18H18N2O2/c1-12(2)18-14-10-16-17(22-9-8-21-16)11-15(14)19-20(18)13-6-4-3-5-7-13/h3-7,10-12H,8-9H2,1-2H3
InChIKeyXBZPQRQMTGMLJC-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.92
Rot. Bonds2

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

2-phenyl-3-propan-2-yl-6,7-dihydro-[1,4]dioxino[2,3-f]indazole (PubChem CID 25249358) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-phenyl-3-propan-2-yl-6,7-dihydro-[1,4]dioxino[2,3-f]indazole.

Molecular Properties

Compound Name2-phenyl-3-propan-2-yl-6,7-dihydro-[1,4]dioxino[2,3-f]indazole
PubChem CID25249358
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name2-phenyl-3-propan-2-yl-6,7-dihydro-[1,4]dioxino[2,3-f]indazole
SMILESCC(C)c1c2cc3c(cc2nn1-c1ccccc1)OCCO3
InChIInChI=1S/C18H18N2O2/c1-12(2)18-14-10-16-17(22-9-8-21-16)11-15(14)19-20(18)13-6-4-3-5-7-13/h3-7,10-12H,8-9H2,1-2H3
InChIKeyXBZPQRQMTGMLJC-UHFFFAOYSA-N
XLogP3.92
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3-propan-2-yl-6,7-dihydro-[1,4]dioxino[2,3-f]indazole?
The IUPAC name of 2-phenyl-3-propan-2-yl-6,7-dihydro-[1,4]dioxino[2,3-f]indazole (CID 25249358) is 2-phenyl-3-propan-2-yl-6,7-dihydro-[1,4]dioxino[2,3-f]indazole.
What is the SMILES notation for 2-phenyl-3-propan-2-yl-6,7-dihydro-[1,4]dioxino[2,3-f]indazole?
The canonical SMILES for 2-phenyl-3-propan-2-yl-6,7-dihydro-[1,4]dioxino[2,3-f]indazole is CC(C)c1c2cc3c(cc2nn1-c1ccccc1)OCCO3.
What is the InChIKey of 2-phenyl-3-propan-2-yl-6,7-dihydro-[1,4]dioxino[2,3-f]indazole?
The InChIKey is XBZPQRQMTGMLJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-12(2)18-14-10-16-17(22-9-8-21-16)11-15(14)19-20(18)13-6-4-3-5-7-13/h3-7,10-12H,8-9H2,1-2H3.
What are the key properties of 2-phenyl-3-propan-2-yl-6,7-dihydro-[1,4]dioxino[2,3-f]indazole?
2-phenyl-3-propan-2-yl-6,7-dihydro-[1,4]dioxino[2,3-f]indazole has a molecular weight of 294.35 g/mol, XLogP of 3.92, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3-propan-2-yl-6,7-dihydro-[1,4]dioxino[2,3-f]indazole is sourced from PubChem (CID 25249358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).