2-(2-hydroxy-5-methoxyphenyl)-1,3-benzoxazin-4-one

C15H11NO4 — CID 135763141

IUPAC2-(2-hydroxy-5-methoxyphenyl)-1,3-benzoxazin-4-one
SMILESCOc1ccc(O)c(-c2nc(=O)c3ccccc3o2)c1
InChIInChI=1S/C15H11NO4/c1-19-9-6-7-12(17)11(8-9)15-16-14(18)10-4-2-3-5-13(10)20-15/h2-8,17H,1H3
InChIKeySXOWHCVJPMQWFR-UHFFFAOYSA-N
MW269.26 g/mol
LogP2.57
Rot. Bonds2

About 2-(2-hydroxy-5-methoxyphenyl)-1,3-benzoxazin-4-one

2-(2-hydroxy-5-methoxyphenyl)-1,3-benzoxazin-4-one (PubChem CID 135763141) has the molecular formula C15H11NO4 and a molecular weight of 269.26 g/mol. Its IUPAC name is 2-(2-hydroxy-5-methoxyphenyl)-1,3-benzoxazin-4-one.

Molecular Properties

Compound Name2-(2-hydroxy-5-methoxyphenyl)-1,3-benzoxazin-4-one
PubChem CID135763141
Molecular FormulaC15H11NO4
Molecular Weight269.26 g/mol
Exact Mass269.07
IUPAC Name2-(2-hydroxy-5-methoxyphenyl)-1,3-benzoxazin-4-one
SMILESCOc1ccc(O)c(-c2nc(=O)c3ccccc3o2)c1
InChIInChI=1S/C15H11NO4/c1-19-9-6-7-12(17)11(8-9)15-16-14(18)10-4-2-3-5-13(10)20-15/h2-8,17H,1H3
InChIKeySXOWHCVJPMQWFR-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

2-(2-hydroxyphenyl)-1,3-benzoxazin-4-one
CID 135685723
2-[2-(4-oxo-1,3-benzoxazin-2-yl)phenyl]-1,3-benzoxazin-4-one
CID 68742008
2-[2-(4-methoxyphenyl)ethenyl]-1,3-benzoxazin-4-one
CID 3122852
3-(2-hydroxy-5-methoxyphenyl)-7-methoxychromen-2-one
CID 156776464
1,4-dihydroxy-7-methoxyxanthen-9-one
CID 15819467
methyl 3-(6-methoxy-4-oxo-1,3-benzoxazin-2-yl)benzoate
CID 67890566
2-(2-hydroxyphenyl)chromen-4-one;N-(4-methoxyphenyl)acetamide
CID 70163906
ethane-1,2-diol;2-methoxyxanthen-9-one
CID 126598327
2-(2-amino-5-methoxyphenyl)chromen-4-one
CID 155414539
5-(4-oxo-1,3-benzoxazin-2-yl)isoindole-1,3-dione
CID 68786236
2-(6-methoxynaphthalen-2-yl)chromen-4-one
CID 132606136
N-[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]-3,4,5-trimethoxybenzamide
CID 1364043

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxy-5-methoxyphenyl)-1,3-benzoxazin-4-one?
The IUPAC name of 2-(2-hydroxy-5-methoxyphenyl)-1,3-benzoxazin-4-one (CID 135763141) is 2-(2-hydroxy-5-methoxyphenyl)-1,3-benzoxazin-4-one.
What is the SMILES notation for 2-(2-hydroxy-5-methoxyphenyl)-1,3-benzoxazin-4-one?
The canonical SMILES for 2-(2-hydroxy-5-methoxyphenyl)-1,3-benzoxazin-4-one is COc1ccc(O)c(-c2nc(=O)c3ccccc3o2)c1.
What is the InChIKey of 2-(2-hydroxy-5-methoxyphenyl)-1,3-benzoxazin-4-one?
The InChIKey is SXOWHCVJPMQWFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO4/c1-19-9-6-7-12(17)11(8-9)15-16-14(18)10-4-2-3-5-13(10)20-15/h2-8,17H,1H3.
What are the key properties of 2-(2-hydroxy-5-methoxyphenyl)-1,3-benzoxazin-4-one?
2-(2-hydroxy-5-methoxyphenyl)-1,3-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 2-(2-hydroxy-5-methoxyphenyl)-1,3-benzoxazin-4-one is sourced from PubChem (CID 135763141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).