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

C10H11NO4 — CID 139777702

IUPAC6-(hydroxymethyl)-8-methoxy-1,4-dihydro-3,1-benzoxazin-2-one
SMILESCOc1cc(CO)cc2c1NC(=O)OC2
InChIInChI=1S/C10H11NO4/c1-14-8-3-6(4-12)2-7-5-15-10(13)11-9(7)8/h2-3,12H,4-5H2,1H3,(H,11,13)
InChIKeyXQUDPSHCTBWAKI-UHFFFAOYSA-N
MW209.20 g/mol
LogP1.25
Rot. Bonds2

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

6-(hydroxymethyl)-8-methoxy-1,4-dihydro-3,1-benzoxazin-2-one (PubChem CID 139777702) has the molecular formula C10H11NO4 and a molecular weight of 209.20 g/mol. Its IUPAC name is 6-(hydroxymethyl)-8-methoxy-1,4-dihydro-3,1-benzoxazin-2-one.

Molecular Properties

Compound Name6-(hydroxymethyl)-8-methoxy-1,4-dihydro-3,1-benzoxazin-2-one
PubChem CID139777702
Molecular FormulaC10H11NO4
Molecular Weight209.20 g/mol
Exact Mass209.07
IUPAC Name6-(hydroxymethyl)-8-methoxy-1,4-dihydro-3,1-benzoxazin-2-one
SMILESCOc1cc(CO)cc2c1NC(=O)OC2
InChIInChI=1S/C10H11NO4/c1-14-8-3-6(4-12)2-7-5-15-10(13)11-9(7)8/h2-3,12H,4-5H2,1H3,(H,11,13)
InChIKeyXQUDPSHCTBWAKI-UHFFFAOYSA-N
XLogP1.25
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(7-methoxy-2-oxo-1,3-dihydroindol-5-yl)acetonitrile
CID 84776695
2-(7-methoxy-1-oxo-3H-2-benzofuran-5-yl)acetaldehyde
CID 77231250
2,2-diethyl-6-(hydroxymethyl)-8-methoxy-4H-1,4-benzoxazin-3-one
CID 82154072
[4-fluoro-3-methoxy-5-(trifluoromethyl)phenyl]methanol
CID 171014426
6-(hydroxymethyl)-8-methoxy-4-pentyl-1,4-benzoxazin-3-one
CID 82155558
[4-(hydroxymethyl)-2,6-dimethoxyphenyl]boronic acid
CID 54470355
(3-bromo-4-fluoro-5-methoxyphenyl)methanol
CID 84698241
1-[4-(hydroxymethyl)-2,6-dimethoxyphenyl]propane-1,2,3-triol
CID 170818728
(10-methoxy-1,2,3,4-tetrahydrobenzo[h][1,6]naphthyridin-8-yl)methanol
CID 141266028
[(10aR)-4-methoxy-10a-methyl-5,6,7,8,8a,9-hexahydroxanthen-2-yl]methanol
CID 143114036
1-(8-methoxy-4H-1,3-benzodioxin-6-yl)propan-2-one
CID 83890476
6-(hydroxymethyl)-8-methoxy-2,4-dimethyl-1,4-benzoxazin-3-one
CID 82155635

Frequently Asked Questions

What is the IUPAC name of 6-(hydroxymethyl)-8-methoxy-1,4-dihydro-3,1-benzoxazin-2-one?
The IUPAC name of 6-(hydroxymethyl)-8-methoxy-1,4-dihydro-3,1-benzoxazin-2-one (CID 139777702) is 6-(hydroxymethyl)-8-methoxy-1,4-dihydro-3,1-benzoxazin-2-one.
What is the SMILES notation for 6-(hydroxymethyl)-8-methoxy-1,4-dihydro-3,1-benzoxazin-2-one?
The canonical SMILES for 6-(hydroxymethyl)-8-methoxy-1,4-dihydro-3,1-benzoxazin-2-one is COc1cc(CO)cc2c1NC(=O)OC2.
What is the InChIKey of 6-(hydroxymethyl)-8-methoxy-1,4-dihydro-3,1-benzoxazin-2-one?
The InChIKey is XQUDPSHCTBWAKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO4/c1-14-8-3-6(4-12)2-7-5-15-10(13)11-9(7)8/h2-3,12H,4-5H2,1H3,(H,11,13).
What are the key properties of 6-(hydroxymethyl)-8-methoxy-1,4-dihydro-3,1-benzoxazin-2-one?
6-(hydroxymethyl)-8-methoxy-1,4-dihydro-3,1-benzoxazin-2-one has a molecular weight of 209.20 g/mol, XLogP of 1.25, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(hydroxymethyl)-8-methoxy-1,4-dihydro-3,1-benzoxazin-2-one is sourced from PubChem (CID 139777702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).