2-phenyl-4-propyl-4H-3,1-benzoxazine

C17H17NO — CID 91734033

IUPAC2-phenyl-4-propyl-4H-3,1-benzoxazine
SMILESCCCC1OC(c2ccccc2)=Nc2ccccc21
InChIInChI=1S/C17H17NO/c1-2-8-16-14-11-6-7-12-15(14)18-17(19-16)13-9-4-3-5-10-13/h3-7,9-12,16H,2,8H2,1H3
InChIKeyZDOMIKLEEZPTAK-UHFFFAOYSA-N
MW251.33 g/mol
LogP4.64
Rot. Bonds3

About 2-phenyl-4-propyl-4H-3,1-benzoxazine

2-phenyl-4-propyl-4H-3,1-benzoxazine (PubChem CID 91734033) has the molecular formula C17H17NO and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-phenyl-4-propyl-4H-3,1-benzoxazine.

Molecular Properties

Compound Name2-phenyl-4-propyl-4H-3,1-benzoxazine
PubChem CID91734033
Molecular FormulaC17H17NO
Molecular Weight251.33 g/mol
Exact Mass251.13
IUPAC Name2-phenyl-4-propyl-4H-3,1-benzoxazine
SMILESCCCC1OC(c2ccccc2)=Nc2ccccc21
InChIInChI=1S/C17H17NO/c1-2-8-16-14-11-6-7-12-15(14)18-17(19-16)13-9-4-3-5-10-13/h3-7,9-12,16H,2,8H2,1H3
InChIKeyZDOMIKLEEZPTAK-UHFFFAOYSA-N
XLogP4.64
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-propyl-4H-3,1-benzoxazine?
The IUPAC name of 2-phenyl-4-propyl-4H-3,1-benzoxazine (CID 91734033) is 2-phenyl-4-propyl-4H-3,1-benzoxazine.
What is the SMILES notation for 2-phenyl-4-propyl-4H-3,1-benzoxazine?
The canonical SMILES for 2-phenyl-4-propyl-4H-3,1-benzoxazine is CCCC1OC(c2ccccc2)=Nc2ccccc21.
What is the InChIKey of 2-phenyl-4-propyl-4H-3,1-benzoxazine?
The InChIKey is ZDOMIKLEEZPTAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO/c1-2-8-16-14-11-6-7-12-15(14)18-17(19-16)13-9-4-3-5-10-13/h3-7,9-12,16H,2,8H2,1H3.
What are the key properties of 2-phenyl-4-propyl-4H-3,1-benzoxazine?
2-phenyl-4-propyl-4H-3,1-benzoxazine has a molecular weight of 251.33 g/mol, XLogP of 4.64, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-propyl-4H-3,1-benzoxazine is sourced from PubChem (CID 91734033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).