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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Related Compounds

3-(3-fluorophenyl)-6-methyl-1,3-benzoxazine-2,4-dione
CID 11747669
6-chloro-3-(3-chloro-4-methylphenyl)-1,3-benzoxazine-2,4-dione
CID 946968
actinium;8-methyldibenzofuran-2-ol
CID 18739071
6-chloro-3-[4-(trifluoromethyl)phenyl]-1,3-benzoxazine-2,4-dione
CID 11067824
6-bromo-3-(4-butylphenyl)-1,3-benzoxazine-2,4-dione
CID 16720173
17-methyl-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaen-5-ol
CID 144608282
6-methyl-2-(4-methylphenyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 22949757
2,6-bis(4-hydroxyphenyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 634046
3-(4-methylphenyl)-[1,3]oxazolo[4,5-b]pyridin-2-one
CID 13314020
7-hydroxy-2-(4-methylphenyl)chromen-4-one
CID 10848398
1,3,5-tris(4-methylphenyl)-1,3,5-triazinane-2,4,6-trione
CID 584033
6-hydroxy-3-(4-methylphenyl)chromen-2-one
CID 56594088

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).