7-methyl-2H-1,4-benzoxazin-4-ium-3-ol

C9H10NO2+ — CID 149204826

IUPAC7-methyl-2H-1,4-benzoxazin-4-ium-3-ol
SMILESCc1ccc2c(c1)OCC(O)=[NH+]2
InChIInChI=1S/C9H9NO2/c1-6-2-3-7-8(4-6)12-5-9(11)10-7/h2-4H,5H2,1H3,(H,10,11)/p+1
InChIKeyXFJYLKINYUFREU-UHFFFAOYSA-O
MW164.18 g/mol
LogP0.06
Rot. Bonds

About 7-methyl-2H-1,4-benzoxazin-4-ium-3-ol

7-methyl-2H-1,4-benzoxazin-4-ium-3-ol (PubChem CID 149204826) has the molecular formula C9H10NO2+ and a molecular weight of 164.18 g/mol. Its IUPAC name is 7-methyl-2H-1,4-benzoxazin-4-ium-3-ol.

Molecular Properties

Compound Name7-methyl-2H-1,4-benzoxazin-4-ium-3-ol
PubChem CID149204826
Molecular FormulaC9H10NO2+
Molecular Weight164.18 g/mol
Exact Mass164.07
IUPAC Name7-methyl-2H-1,4-benzoxazin-4-ium-3-ol
SMILESCc1ccc2c(c1)OCC(O)=[NH+]2
InChIInChI=1S/C9H9NO2/c1-6-2-3-7-8(4-6)12-5-9(11)10-7/h2-4H,5H2,1H3,(H,10,11)/p+1
InChIKeyXFJYLKINYUFREU-UHFFFAOYSA-O
XLogP0.06
TPSA43.43 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.18
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;7-methyl-4H-1,4-benzoxazin-3-one
CID 143712087
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7-methyl-3-methylidene-4H-chromene
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7-methyl-3,4-dihydro-2H-1,5-benzodioxepin-3-ol
CID 16723715
methane;5-methyl-1,3-benzodioxole;1,4-xylene
CID 160857167
3-[2-hydroxy-1-(4-hydroxy-6-methyl-2H-chromen-3-yl)ethyl]-6-methyl-2H-chromen-4-ol
CID 143310074
6-methyl-2,3-dihydro-1-benzofuran-3-ol
CID 13013062
(6-methyl-2H-chromen-3-yl)methanol
CID 103351449
3-methyl-6H-benzo[c]chromen-1-ol
CID 102026235
4-(7-methyl-3-phenyl-2H-chromen-4-yl)phenol
CID 159502162
1,3-benzodioxole;5-methyl-1,3-benzodioxole
CID 19894451
14,30-dimethyl-2,5,8,11,18,21,24,27-octaoxatricyclo[26.4.0.012,17]dotriaconta-1(28),12(17),13,15,29,31-hexaene
CID 90365748

Frequently Asked Questions

What is the IUPAC name of 7-methyl-2H-1,4-benzoxazin-4-ium-3-ol?
The IUPAC name of 7-methyl-2H-1,4-benzoxazin-4-ium-3-ol (CID 149204826) is 7-methyl-2H-1,4-benzoxazin-4-ium-3-ol.
What is the SMILES notation for 7-methyl-2H-1,4-benzoxazin-4-ium-3-ol?
The canonical SMILES for 7-methyl-2H-1,4-benzoxazin-4-ium-3-ol is Cc1ccc2c(c1)OCC(O)=[NH+]2.
What is the InChIKey of 7-methyl-2H-1,4-benzoxazin-4-ium-3-ol?
The InChIKey is XFJYLKINYUFREU-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H9NO2/c1-6-2-3-7-8(4-6)12-5-9(11)10-7/h2-4H,5H2,1H3,(H,10,11)/p+1.
What are the key properties of 7-methyl-2H-1,4-benzoxazin-4-ium-3-ol?
7-methyl-2H-1,4-benzoxazin-4-ium-3-ol has a molecular weight of 164.18 g/mol, XLogP of 0.06, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2H-1,4-benzoxazin-4-ium-3-ol is sourced from PubChem (CID 149204826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).