2-phenyl-1,3-dihydrobenzo[f][1,3]benzoxazine

C18H15NO — CID 4109851

IUPAC2-phenyl-1,3-dihydrobenzo[f][1,3]benzoxazine
SMILESc1ccc(N2COc3ccc4ccccc4c3C2)cc1
InChIInChI=1S/C18H15NO/c1-2-7-15(8-3-1)19-12-17-16-9-5-4-6-14(16)10-11-18(17)20-13-19/h1-11H,12-13H2
InChIKeyPDMUYWRZQIJPBH-UHFFFAOYSA-N
MW261.32 g/mol
LogP4.20
Rot. Bonds1

About 2-phenyl-1,3-dihydrobenzo[f][1,3]benzoxazine

2-phenyl-1,3-dihydrobenzo[f][1,3]benzoxazine (PubChem CID 4109851) has the molecular formula C18H15NO and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-phenyl-1,3-dihydrobenzo[f][1,3]benzoxazine.

Molecular Properties

Compound Name2-phenyl-1,3-dihydrobenzo[f][1,3]benzoxazine
PubChem CID4109851
Molecular FormulaC18H15NO
Molecular Weight261.32 g/mol
Exact Mass261.12
IUPAC Name2-phenyl-1,3-dihydrobenzo[f][1,3]benzoxazine
SMILESc1ccc(N2COc3ccc4ccccc4c3C2)cc1
InChIInChI=1S/C18H15NO/c1-2-7-15(8-3-1)19-12-17-16-9-5-4-6-14(16)10-11-18(17)20-13-19/h1-11H,12-13H2
InChIKeyPDMUYWRZQIJPBH-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 2-phenyl-1,3-dihydrobenzo[f][1,3]benzoxazine?
The IUPAC name of 2-phenyl-1,3-dihydrobenzo[f][1,3]benzoxazine (CID 4109851) is 2-phenyl-1,3-dihydrobenzo[f][1,3]benzoxazine.
What is the SMILES notation for 2-phenyl-1,3-dihydrobenzo[f][1,3]benzoxazine?
The canonical SMILES for 2-phenyl-1,3-dihydrobenzo[f][1,3]benzoxazine is c1ccc(N2COc3ccc4ccccc4c3C2)cc1.
What is the InChIKey of 2-phenyl-1,3-dihydrobenzo[f][1,3]benzoxazine?
The InChIKey is PDMUYWRZQIJPBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO/c1-2-7-15(8-3-1)19-12-17-16-9-5-4-6-14(16)10-11-18(17)20-13-19/h1-11H,12-13H2.
What are the key properties of 2-phenyl-1,3-dihydrobenzo[f][1,3]benzoxazine?
2-phenyl-1,3-dihydrobenzo[f][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 2-phenyl-1,3-dihydrobenzo[f][1,3]benzoxazine is sourced from PubChem (CID 4109851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).