1-[(2-phenylphenyl)methyl]-3,1-benzoxazine-2,4-dione

C21H15NO3 — CID 71451031

IUPAC1-[(2-phenylphenyl)methyl]-3,1-benzoxazine-2,4-dione
SMILESO=c1oc(=O)n(Cc2ccccc2-c2ccccc2)c2ccccc12
InChIInChI=1S/C21H15NO3/c23-20-18-12-6-7-13-19(18)22(21(24)25-20)14-16-10-4-5-11-17(16)15-8-2-1-3-9-15/h1-13H,14H2
InChIKeyZTAODYCFRYYGKF-UHFFFAOYSA-N
MW329.36 g/mol
LogP3.67
Rot. Bonds3

About 1-[(2-phenylphenyl)methyl]-3,1-benzoxazine-2,4-dione

1-[(2-phenylphenyl)methyl]-3,1-benzoxazine-2,4-dione (PubChem CID 71451031) has the molecular formula C21H15NO3 and a molecular weight of 329.36 g/mol. Its IUPAC name is 1-[(2-phenylphenyl)methyl]-3,1-benzoxazine-2,4-dione.

Molecular Properties

Compound Name1-[(2-phenylphenyl)methyl]-3,1-benzoxazine-2,4-dione
PubChem CID71451031
Molecular FormulaC21H15NO3
Molecular Weight329.36 g/mol
Exact Mass329.11
IUPAC Name1-[(2-phenylphenyl)methyl]-3,1-benzoxazine-2,4-dione
SMILESO=c1oc(=O)n(Cc2ccccc2-c2ccccc2)c2ccccc12
InChIInChI=1S/C21H15NO3/c23-20-18-12-6-7-13-19(18)22(21(24)25-20)14-16-10-4-5-11-17(16)15-8-2-1-3-9-15/h1-13H,14H2
InChIKeyZTAODYCFRYYGKF-UHFFFAOYSA-N
XLogP3.67
TPSA52.21 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-phenylphenyl)methyl]-3,1-benzoxazine-2,4-dione?
The IUPAC name of 1-[(2-phenylphenyl)methyl]-3,1-benzoxazine-2,4-dione (CID 71451031) is 1-[(2-phenylphenyl)methyl]-3,1-benzoxazine-2,4-dione.
What is the SMILES notation for 1-[(2-phenylphenyl)methyl]-3,1-benzoxazine-2,4-dione?
The canonical SMILES for 1-[(2-phenylphenyl)methyl]-3,1-benzoxazine-2,4-dione is O=c1oc(=O)n(Cc2ccccc2-c2ccccc2)c2ccccc12.
What is the InChIKey of 1-[(2-phenylphenyl)methyl]-3,1-benzoxazine-2,4-dione?
The InChIKey is ZTAODYCFRYYGKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15NO3/c23-20-18-12-6-7-13-19(18)22(21(24)25-20)14-16-10-4-5-11-17(16)15-8-2-1-3-9-15/h1-13H,14H2.
What are the key properties of 1-[(2-phenylphenyl)methyl]-3,1-benzoxazine-2,4-dione?
1-[(2-phenylphenyl)methyl]-3,1-benzoxazine-2,4-dione has a molecular weight of 329.36 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-phenylphenyl)methyl]-3,1-benzoxazine-2,4-dione is sourced from PubChem (CID 71451031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).