6-(hydroxymethyl)-8-methoxy-2,4-dimethyl-1,4-benzoxazin-3-one

C12H15NO4 — CID 82155635

IUPAC6-(hydroxymethyl)-8-methoxy-2,4-dimethyl-1,4-benzoxazin-3-one
SMILESCOc1cc(CO)cc2c1OC(C)C(=O)N2C
InChIInChI=1S/C12H15NO4/c1-7-12(15)13(2)9-4-8(6-14)5-10(16-3)11(9)17-7/h4-5,7,14H,6H2,1-3H3
InChIKeyQIDFTAOJHPMISN-UHFFFAOYSA-N
MW237.25 g/mol
LogP0.93
Rot. Bonds2

About 6-(hydroxymethyl)-8-methoxy-2,4-dimethyl-1,4-benzoxazin-3-one

6-(hydroxymethyl)-8-methoxy-2,4-dimethyl-1,4-benzoxazin-3-one (PubChem CID 82155635) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is 6-(hydroxymethyl)-8-methoxy-2,4-dimethyl-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name6-(hydroxymethyl)-8-methoxy-2,4-dimethyl-1,4-benzoxazin-3-one
PubChem CID82155635
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Name6-(hydroxymethyl)-8-methoxy-2,4-dimethyl-1,4-benzoxazin-3-one
SMILESCOc1cc(CO)cc2c1OC(C)C(=O)N2C
InChIInChI=1S/C12H15NO4/c1-7-12(15)13(2)9-4-8(6-14)5-10(16-3)11(9)17-7/h4-5,7,14H,6H2,1-3H3
InChIKeyQIDFTAOJHPMISN-UHFFFAOYSA-N
XLogP0.93
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-(hydroxymethyl)-8-methoxy-2,4-dimethyl-1,4-benzoxazin-3-one with MolForge

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Related Compounds

4-butyl-6-(hydroxymethyl)-8-methoxy-2-methyl-1,4-benzoxazin-3-one
CID 82155629
6-(hydroxymethyl)-8-methoxy-2-methyl-4-(1-phenylethyl)-1,4-benzoxazin-3-one
CID 82155631
2-ethyl-6-(hydroxymethyl)-8-methoxy-4-propyl-1,4-benzoxazin-3-one
CID 82155714
4-ethyl-6-(hydroxymethyl)-2-methyl-8-propoxy-1,4-benzoxazin-3-one
CID 82156022
6-(hydroxymethyl)-8-methoxy-2-propan-2-yl-4-prop-2-ynyl-1,4-benzoxazin-3-one
CID 82155753
4-ethyl-6-(hydroxymethyl)-2-methyl-8-phenylmethoxy-1,4-benzoxazin-3-one
CID 82156068
8-(2-aminoethyl)-6-fluoro-2,4-dimethyl-1,4-benzoxazin-3-one
CID 82275415
6-(hydroxymethyl)-8-methoxy-4-pentyl-1,4-benzoxazin-3-one
CID 82155558
2,4-dimethyl-3-oxo-8-propoxy-1,4-benzoxazine-6-carbaldehyde
CID 82156007
4-[3-(dimethylamino)propyl]-6-(hydroxymethyl)-2-methyl-1,4-benzoxazin-3-one
CID 82338297
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-(hydroxymethyl)-8-methoxy-1,4-benzoxazin-3-one
CID 94761522
6-amino-8-ethyl-2,4-dimethyl-1,4-benzoxazin-3-one
CID 82230967

Frequently Asked Questions

What is the IUPAC name of 6-(hydroxymethyl)-8-methoxy-2,4-dimethyl-1,4-benzoxazin-3-one?
The IUPAC name of 6-(hydroxymethyl)-8-methoxy-2,4-dimethyl-1,4-benzoxazin-3-one (CID 82155635) is 6-(hydroxymethyl)-8-methoxy-2,4-dimethyl-1,4-benzoxazin-3-one.
What is the SMILES notation for 6-(hydroxymethyl)-8-methoxy-2,4-dimethyl-1,4-benzoxazin-3-one?
The canonical SMILES for 6-(hydroxymethyl)-8-methoxy-2,4-dimethyl-1,4-benzoxazin-3-one is COc1cc(CO)cc2c1OC(C)C(=O)N2C.
What is the InChIKey of 6-(hydroxymethyl)-8-methoxy-2,4-dimethyl-1,4-benzoxazin-3-one?
The InChIKey is QIDFTAOJHPMISN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c1-7-12(15)13(2)9-4-8(6-14)5-10(16-3)11(9)17-7/h4-5,7,14H,6H2,1-3H3.
What are the key properties of 6-(hydroxymethyl)-8-methoxy-2,4-dimethyl-1,4-benzoxazin-3-one?
6-(hydroxymethyl)-8-methoxy-2,4-dimethyl-1,4-benzoxazin-3-one has a molecular weight of 237.25 g/mol, XLogP of 0.93, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(hydroxymethyl)-8-methoxy-2,4-dimethyl-1,4-benzoxazin-3-one is sourced from PubChem (CID 82155635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).