6-hydroxy-7-methoxy-3,1-benzoxazin-4-one

C9H7NO4 — CID 18445191

IUPAC6-hydroxy-7-methoxy-3,1-benzoxazin-4-one
SMILESCOc1cc2ncoc(=O)c2cc1O
InChIInChI=1S/C9H7NO4/c1-13-8-3-6-5(2-7(8)11)9(12)14-4-10-6/h2-4,11H,1H3
InChIKeySFLGLWOYUBGHDV-UHFFFAOYSA-N
MW193.16 g/mol
LogP0.90
Rot. Bonds1

About 6-hydroxy-7-methoxy-3,1-benzoxazin-4-one

6-hydroxy-7-methoxy-3,1-benzoxazin-4-one (PubChem CID 18445191) has the molecular formula C9H7NO4 and a molecular weight of 193.16 g/mol. Its IUPAC name is 6-hydroxy-7-methoxy-3,1-benzoxazin-4-one.

Molecular Properties

Compound Name6-hydroxy-7-methoxy-3,1-benzoxazin-4-one
PubChem CID18445191
Molecular FormulaC9H7NO4
Molecular Weight193.16 g/mol
Exact Mass193.04
IUPAC Name6-hydroxy-7-methoxy-3,1-benzoxazin-4-one
SMILESCOc1cc2ncoc(=O)c2cc1O
InChIInChI=1S/C9H7NO4/c1-13-8-3-6-5(2-7(8)11)9(12)14-4-10-6/h2-4,11H,1H3
InChIKeySFLGLWOYUBGHDV-UHFFFAOYSA-N
XLogP0.90
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.16
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-7-methoxy-3,1-benzoxazin-4-one?
The IUPAC name of 6-hydroxy-7-methoxy-3,1-benzoxazin-4-one (CID 18445191) is 6-hydroxy-7-methoxy-3,1-benzoxazin-4-one.
What is the SMILES notation for 6-hydroxy-7-methoxy-3,1-benzoxazin-4-one?
The canonical SMILES for 6-hydroxy-7-methoxy-3,1-benzoxazin-4-one is COc1cc2ncoc(=O)c2cc1O.
What is the InChIKey of 6-hydroxy-7-methoxy-3,1-benzoxazin-4-one?
The InChIKey is SFLGLWOYUBGHDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO4/c1-13-8-3-6-5(2-7(8)11)9(12)14-4-10-6/h2-4,11H,1H3.
What are the key properties of 6-hydroxy-7-methoxy-3,1-benzoxazin-4-one?
6-hydroxy-7-methoxy-3,1-benzoxazin-4-one has a molecular weight of 193.16 g/mol, XLogP of 0.90, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-7-methoxy-3,1-benzoxazin-4-one is sourced from PubChem (CID 18445191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).