2,3-bis(ethenyl)-4-phenyl-1,4-benzoxazine

C18H15NO — CID 145125517

IUPAC2,3-bis(ethenyl)-4-phenyl-1,4-benzoxazine
SMILESC=CC1=C(C=C)N(c2ccccc2)c2ccccc2O1
InChIInChI=1S/C18H15NO/c1-3-15-17(4-2)20-18-13-9-8-12-16(18)19(15)14-10-6-5-7-11-14/h3-13H,1-2H2
InChIKeyHXKUNOBYRWTXLB-UHFFFAOYSA-N
MW261.32 g/mol
LogP4.80
Rot. Bonds3

About 2,3-bis(ethenyl)-4-phenyl-1,4-benzoxazine

2,3-bis(ethenyl)-4-phenyl-1,4-benzoxazine (PubChem CID 145125517) has the molecular formula C18H15NO and a molecular weight of 261.32 g/mol. Its IUPAC name is 2,3-bis(ethenyl)-4-phenyl-1,4-benzoxazine.

Molecular Properties

Compound Name2,3-bis(ethenyl)-4-phenyl-1,4-benzoxazine
PubChem CID145125517
Molecular FormulaC18H15NO
Molecular Weight261.32 g/mol
Exact Mass261.12
IUPAC Name2,3-bis(ethenyl)-4-phenyl-1,4-benzoxazine
SMILESC=CC1=C(C=C)N(c2ccccc2)c2ccccc2O1
InChIInChI=1S/C18H15NO/c1-3-15-17(4-2)20-18-13-9-8-12-16(18)19(15)14-10-6-5-7-11-14/h3-13H,1-2H2
InChIKeyHXKUNOBYRWTXLB-UHFFFAOYSA-N
XLogP4.80
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-bis(ethenyl)-4-phenyl-1,4-benzoxazine?
The IUPAC name of 2,3-bis(ethenyl)-4-phenyl-1,4-benzoxazine (CID 145125517) is 2,3-bis(ethenyl)-4-phenyl-1,4-benzoxazine.
What is the SMILES notation for 2,3-bis(ethenyl)-4-phenyl-1,4-benzoxazine?
The canonical SMILES for 2,3-bis(ethenyl)-4-phenyl-1,4-benzoxazine is C=CC1=C(C=C)N(c2ccccc2)c2ccccc2O1.
What is the InChIKey of 2,3-bis(ethenyl)-4-phenyl-1,4-benzoxazine?
The InChIKey is HXKUNOBYRWTXLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO/c1-3-15-17(4-2)20-18-13-9-8-12-16(18)19(15)14-10-6-5-7-11-14/h3-13H,1-2H2.
What are the key properties of 2,3-bis(ethenyl)-4-phenyl-1,4-benzoxazine?
2,3-bis(ethenyl)-4-phenyl-1,4-benzoxazine has a molecular weight of 261.32 g/mol, XLogP of 4.80, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(ethenyl)-4-phenyl-1,4-benzoxazine is sourced from PubChem (CID 145125517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).