5,5-dimethyl-2-phenyl-6H-benzo[h][3,1]benzoxazin-4-one

C20H17NO2 — CID 740868

IUPAC5,5-dimethyl-2-phenyl-6H-benzo[h][3,1]benzoxazin-4-one
SMILESCC1(C)Cc2ccccc2-c2nc(-c3ccccc3)oc(=O)c21
InChIInChI=1S/C20H17NO2/c1-20(2)12-14-10-6-7-11-15(14)17-16(20)19(22)23-18(21-17)13-8-4-3-5-9-13/h3-11H,12H2,1-2H3
InChIKeyHXOQDQKAGGOWHC-UHFFFAOYSA-N
MW303.36 g/mol
LogP4.20
Rot. Bonds1

About 5,5-dimethyl-2-phenyl-6H-benzo[h][3,1]benzoxazin-4-one

5,5-dimethyl-2-phenyl-6H-benzo[h][3,1]benzoxazin-4-one (PubChem CID 740868) has the molecular formula C20H17NO2 and a molecular weight of 303.36 g/mol. Its IUPAC name is 5,5-dimethyl-2-phenyl-6H-benzo[h][3,1]benzoxazin-4-one.

Molecular Properties

Compound Name5,5-dimethyl-2-phenyl-6H-benzo[h][3,1]benzoxazin-4-one
PubChem CID740868
Molecular FormulaC20H17NO2
Molecular Weight303.36 g/mol
Exact Mass303.13
IUPAC Name5,5-dimethyl-2-phenyl-6H-benzo[h][3,1]benzoxazin-4-one
SMILESCC1(C)Cc2ccccc2-c2nc(-c3ccccc3)oc(=O)c21
InChIInChI=1S/C20H17NO2/c1-20(2)12-14-10-6-7-11-15(14)17-16(20)19(22)23-18(21-17)13-8-4-3-5-9-13/h3-11H,12H2,1-2H3
InChIKeyHXOQDQKAGGOWHC-UHFFFAOYSA-N
XLogP4.20
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-2-phenyl-6H-benzo[h][3,1]benzoxazin-4-one?
The IUPAC name of 5,5-dimethyl-2-phenyl-6H-benzo[h][3,1]benzoxazin-4-one (CID 740868) is 5,5-dimethyl-2-phenyl-6H-benzo[h][3,1]benzoxazin-4-one.
What is the SMILES notation for 5,5-dimethyl-2-phenyl-6H-benzo[h][3,1]benzoxazin-4-one?
The canonical SMILES for 5,5-dimethyl-2-phenyl-6H-benzo[h][3,1]benzoxazin-4-one is CC1(C)Cc2ccccc2-c2nc(-c3ccccc3)oc(=O)c21.
What is the InChIKey of 5,5-dimethyl-2-phenyl-6H-benzo[h][3,1]benzoxazin-4-one?
The InChIKey is HXOQDQKAGGOWHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO2/c1-20(2)12-14-10-6-7-11-15(14)17-16(20)19(22)23-18(21-17)13-8-4-3-5-9-13/h3-11H,12H2,1-2H3.
What are the key properties of 5,5-dimethyl-2-phenyl-6H-benzo[h][3,1]benzoxazin-4-one?
5,5-dimethyl-2-phenyl-6H-benzo[h][3,1]benzoxazin-4-one has a molecular weight of 303.36 g/mol, XLogP of 4.20, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-2-phenyl-6H-benzo[h][3,1]benzoxazin-4-one is sourced from PubChem (CID 740868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).