6-hydroxy-2-(3-methoxyphenyl)-3,1-benzoxazin-4-one

C15H11NO4 — CID 973260

IUPAC6-hydroxy-2-(3-methoxyphenyl)-3,1-benzoxazin-4-one
SMILESCOc1cccc(-c2nc3ccc(O)cc3c(=O)o2)c1
InChIInChI=1S/C15H11NO4/c1-19-11-4-2-3-9(7-11)14-16-13-6-5-10(17)8-12(13)15(18)20-14/h2-8,17H,1H3
InChIKeyNCSDHOZXWABQGA-UHFFFAOYSA-N
MW269.26 g/mol
LogP2.57
Rot. Bonds2

About 6-hydroxy-2-(3-methoxyphenyl)-3,1-benzoxazin-4-one

6-hydroxy-2-(3-methoxyphenyl)-3,1-benzoxazin-4-one (PubChem CID 973260) has the molecular formula C15H11NO4 and a molecular weight of 269.26 g/mol. Its IUPAC name is 6-hydroxy-2-(3-methoxyphenyl)-3,1-benzoxazin-4-one.

Molecular Properties

Compound Name6-hydroxy-2-(3-methoxyphenyl)-3,1-benzoxazin-4-one
PubChem CID973260
Molecular FormulaC15H11NO4
Molecular Weight269.26 g/mol
Exact Mass269.07
IUPAC Name6-hydroxy-2-(3-methoxyphenyl)-3,1-benzoxazin-4-one
SMILESCOc1cccc(-c2nc3ccc(O)cc3c(=O)o2)c1
InChIInChI=1S/C15H11NO4/c1-19-11-4-2-3-9(7-11)14-16-13-6-5-10(17)8-12(13)15(18)20-14/h2-8,17H,1H3
InChIKeyNCSDHOZXWABQGA-UHFFFAOYSA-N
XLogP2.57
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 277930
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CID 86288912
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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-2-(3-methoxyphenyl)-3,1-benzoxazin-4-one?
The IUPAC name of 6-hydroxy-2-(3-methoxyphenyl)-3,1-benzoxazin-4-one (CID 973260) is 6-hydroxy-2-(3-methoxyphenyl)-3,1-benzoxazin-4-one.
What is the SMILES notation for 6-hydroxy-2-(3-methoxyphenyl)-3,1-benzoxazin-4-one?
The canonical SMILES for 6-hydroxy-2-(3-methoxyphenyl)-3,1-benzoxazin-4-one is COc1cccc(-c2nc3ccc(O)cc3c(=O)o2)c1.
What is the InChIKey of 6-hydroxy-2-(3-methoxyphenyl)-3,1-benzoxazin-4-one?
The InChIKey is NCSDHOZXWABQGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO4/c1-19-11-4-2-3-9(7-11)14-16-13-6-5-10(17)8-12(13)15(18)20-14/h2-8,17H,1H3.
What are the key properties of 6-hydroxy-2-(3-methoxyphenyl)-3,1-benzoxazin-4-one?
6-hydroxy-2-(3-methoxyphenyl)-3,1-benzoxazin-4-one has a molecular weight of 269.26 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-2-(3-methoxyphenyl)-3,1-benzoxazin-4-one is sourced from PubChem (CID 973260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).