3-phenyl-2,4-dihydrobenzo[h][1,3]benzoxazine

C18H15NO — CID 46886727

IUPAC3-phenyl-2,4-dihydrobenzo[h][1,3]benzoxazine
SMILESc1ccc(N2COc3c(ccc4ccccc34)C2)cc1
InChIInChI=1S/C18H15NO/c1-2-7-16(8-3-1)19-12-15-11-10-14-6-4-5-9-17(14)18(15)20-13-19/h1-11H,12-13H2
InChIKeyJQPGLJYFBDBJSQ-UHFFFAOYSA-N
MW261.32 g/mol
LogP4.20
Rot. Bonds1

About 3-phenyl-2,4-dihydrobenzo[h][1,3]benzoxazine

3-phenyl-2,4-dihydrobenzo[h][1,3]benzoxazine (PubChem CID 46886727) has the molecular formula C18H15NO and a molecular weight of 261.32 g/mol. Its IUPAC name is 3-phenyl-2,4-dihydrobenzo[h][1,3]benzoxazine.

Molecular Properties

Compound Name3-phenyl-2,4-dihydrobenzo[h][1,3]benzoxazine
PubChem CID46886727
Molecular FormulaC18H15NO
Molecular Weight261.32 g/mol
Exact Mass261.12
IUPAC Name3-phenyl-2,4-dihydrobenzo[h][1,3]benzoxazine
SMILESc1ccc(N2COc3c(ccc4ccccc34)C2)cc1
InChIInChI=1S/C18H15NO/c1-2-7-16(8-3-1)19-12-15-11-10-14-6-4-5-9-17(14)18(15)20-13-19/h1-11H,12-13H2
InChIKeyJQPGLJYFBDBJSQ-UHFFFAOYSA-N
XLogP4.20
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2,4-dihydrobenzo[h][1,3]benzoxazine?
The IUPAC name of 3-phenyl-2,4-dihydrobenzo[h][1,3]benzoxazine (CID 46886727) is 3-phenyl-2,4-dihydrobenzo[h][1,3]benzoxazine.
What is the SMILES notation for 3-phenyl-2,4-dihydrobenzo[h][1,3]benzoxazine?
The canonical SMILES for 3-phenyl-2,4-dihydrobenzo[h][1,3]benzoxazine is c1ccc(N2COc3c(ccc4ccccc34)C2)cc1.
What is the InChIKey of 3-phenyl-2,4-dihydrobenzo[h][1,3]benzoxazine?
The InChIKey is JQPGLJYFBDBJSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO/c1-2-7-16(8-3-1)19-12-15-11-10-14-6-4-5-9-17(14)18(15)20-13-19/h1-11H,12-13H2.
What are the key properties of 3-phenyl-2,4-dihydrobenzo[h][1,3]benzoxazine?
3-phenyl-2,4-dihydrobenzo[h][1,3]benzoxazine has a molecular weight of 261.32 g/mol, XLogP of 4.20, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2,4-dihydrobenzo[h][1,3]benzoxazine is sourced from PubChem (CID 46886727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).