6-hydroxy-3-(4-methylphenyl)-1,3-benzoxazine-2,4-dione

C15H11NO4 — CID 44543048

IUPAC6-hydroxy-3-(4-methylphenyl)-1,3-benzoxazine-2,4-dione
SMILESCc1ccc(-n2c(=O)oc3ccc(O)cc3c2=O)cc1
InChIInChI=1S/C15H11NO4/c1-9-2-4-10(5-3-9)16-14(18)12-8-11(17)6-7-13(12)20-15(16)19/h2-8,17H,1H3
InChIKeyXCLGKKIKRUZBNF-UHFFFAOYSA-N
MW269.26 g/mol
LogP1.96
Rot. Bonds1

About 6-hydroxy-3-(4-methylphenyl)-1,3-benzoxazine-2,4-dione

6-hydroxy-3-(4-methylphenyl)-1,3-benzoxazine-2,4-dione (PubChem CID 44543048) has the molecular formula C15H11NO4 and a molecular weight of 269.26 g/mol. Its IUPAC name is 6-hydroxy-3-(4-methylphenyl)-1,3-benzoxazine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-3-(4-methylphenyl)-1,3-benzoxazine-2,4-dione
PubChem CID44543048
Molecular FormulaC15H11NO4
Molecular Weight269.26 g/mol
Exact Mass269.07
IUPAC Name6-hydroxy-3-(4-methylphenyl)-1,3-benzoxazine-2,4-dione
SMILESCc1ccc(-n2c(=O)oc3ccc(O)cc3c2=O)cc1
InChIInChI=1S/C15H11NO4/c1-9-2-4-10(5-3-9)16-14(18)12-8-11(17)6-7-13(12)20-15(16)19/h2-8,17H,1H3
InChIKeyXCLGKKIKRUZBNF-UHFFFAOYSA-N
XLogP1.96
TPSA72.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-3-(4-methylphenyl)-1,3-benzoxazine-2,4-dione?
The IUPAC name of 6-hydroxy-3-(4-methylphenyl)-1,3-benzoxazine-2,4-dione (CID 44543048) is 6-hydroxy-3-(4-methylphenyl)-1,3-benzoxazine-2,4-dione.
What is the SMILES notation for 6-hydroxy-3-(4-methylphenyl)-1,3-benzoxazine-2,4-dione?
The canonical SMILES for 6-hydroxy-3-(4-methylphenyl)-1,3-benzoxazine-2,4-dione is Cc1ccc(-n2c(=O)oc3ccc(O)cc3c2=O)cc1.
What is the InChIKey of 6-hydroxy-3-(4-methylphenyl)-1,3-benzoxazine-2,4-dione?
The InChIKey is XCLGKKIKRUZBNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO4/c1-9-2-4-10(5-3-9)16-14(18)12-8-11(17)6-7-13(12)20-15(16)19/h2-8,17H,1H3.
What are the key properties of 6-hydroxy-3-(4-methylphenyl)-1,3-benzoxazine-2,4-dione?
6-hydroxy-3-(4-methylphenyl)-1,3-benzoxazine-2,4-dione has a molecular weight of 269.26 g/mol, XLogP of 1.96, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-3-(4-methylphenyl)-1,3-benzoxazine-2,4-dione is sourced from PubChem (CID 44543048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).