7,9-ditert-butyl-10a-hydroxyindeno[2,1-b][1,4]benzoxazin-11-one

C23H25NO3 — CID 15497035

IUPAC7,9-ditert-butyl-10a-hydroxyindeno[2,1-b][1,4]benzoxazin-11-one
SMILESCC(C)(C)c1cc2c(c(C(C)(C)C)c1)OC1(O)C(=O)c3ccccc3C1=N2
InChIInChI=1S/C23H25NO3/c1-21(2,3)13-11-16(22(4,5)6)18-17(12-13)24-19-14-9-7-8-10-15(14)20(25)23(19,26)27-18/h7-12,26H,1-6H3
InChIKeyUIENZCJZSDJLFJ-UHFFFAOYSA-N
MW363.46 g/mol
LogP4.68
Rot. Bonds

About 7,9-ditert-butyl-10a-hydroxyindeno[2,1-b][1,4]benzoxazin-11-one

7,9-ditert-butyl-10a-hydroxyindeno[2,1-b][1,4]benzoxazin-11-one (PubChem CID 15497035) has the molecular formula C23H25NO3 and a molecular weight of 363.46 g/mol. Its IUPAC name is 7,9-ditert-butyl-10a-hydroxyindeno[2,1-b][1,4]benzoxazin-11-one.

Molecular Properties

Compound Name7,9-ditert-butyl-10a-hydroxyindeno[2,1-b][1,4]benzoxazin-11-one
PubChem CID15497035
Molecular FormulaC23H25NO3
Molecular Weight363.46 g/mol
Exact Mass363.18
IUPAC Name7,9-ditert-butyl-10a-hydroxyindeno[2,1-b][1,4]benzoxazin-11-one
SMILESCC(C)(C)c1cc2c(c(C(C)(C)C)c1)OC1(O)C(=O)c3ccccc3C1=N2
InChIInChI=1S/C23H25NO3/c1-21(2,3)13-11-16(22(4,5)6)18-17(12-13)24-19-14-9-7-8-10-15(14)20(25)23(19,26)27-18/h7-12,26H,1-6H3
InChIKeyUIENZCJZSDJLFJ-UHFFFAOYSA-N
XLogP4.68
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7,9-ditert-butyl-10a-hydroxyindeno[2,1-b][1,4]benzoxazin-11-one?
The IUPAC name of 7,9-ditert-butyl-10a-hydroxyindeno[2,1-b][1,4]benzoxazin-11-one (CID 15497035) is 7,9-ditert-butyl-10a-hydroxyindeno[2,1-b][1,4]benzoxazin-11-one.
What is the SMILES notation for 7,9-ditert-butyl-10a-hydroxyindeno[2,1-b][1,4]benzoxazin-11-one?
The canonical SMILES for 7,9-ditert-butyl-10a-hydroxyindeno[2,1-b][1,4]benzoxazin-11-one is CC(C)(C)c1cc2c(c(C(C)(C)C)c1)OC1(O)C(=O)c3ccccc3C1=N2.
What is the InChIKey of 7,9-ditert-butyl-10a-hydroxyindeno[2,1-b][1,4]benzoxazin-11-one?
The InChIKey is UIENZCJZSDJLFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO3/c1-21(2,3)13-11-16(22(4,5)6)18-17(12-13)24-19-14-9-7-8-10-15(14)20(25)23(19,26)27-18/h7-12,26H,1-6H3.
What are the key properties of 7,9-ditert-butyl-10a-hydroxyindeno[2,1-b][1,4]benzoxazin-11-one?
7,9-ditert-butyl-10a-hydroxyindeno[2,1-b][1,4]benzoxazin-11-one has a molecular weight of 363.46 g/mol, XLogP of 4.68, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,9-ditert-butyl-10a-hydroxyindeno[2,1-b][1,4]benzoxazin-11-one is sourced from PubChem (CID 15497035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).