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

C9H11NO2 — CID 69369715

IUPAC2-methyl-3,4-dihydro-2H-1,4-benzoxazin-7-ol
SMILESCC1CNc2ccc(O)cc2O1
InChIInChI=1S/C9H11NO2/c1-6-5-10-8-3-2-7(11)4-9(8)12-6/h2-4,6,10-11H,5H2,1H3
InChIKeyFZARGFGUVKFTGV-UHFFFAOYSA-N
MW165.19 g/mol
LogP1.59
Rot. Bonds

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

2-methyl-3,4-dihydro-2H-1,4-benzoxazin-7-ol (PubChem CID 69369715) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is 2-methyl-3,4-dihydro-2H-1,4-benzoxazin-7-ol.

Molecular Properties

Compound Name2-methyl-3,4-dihydro-2H-1,4-benzoxazin-7-ol
PubChem CID69369715
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC Name2-methyl-3,4-dihydro-2H-1,4-benzoxazin-7-ol
SMILESCC1CNc2ccc(O)cc2O1
InChIInChI=1S/C9H11NO2/c1-6-5-10-8-3-2-7(11)4-9(8)12-6/h2-4,6,10-11H,5H2,1H3
InChIKeyFZARGFGUVKFTGV-UHFFFAOYSA-N
XLogP1.59
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3,4-dihydro-2H-1,4-benzoxazin-7-ol?
The IUPAC name of 2-methyl-3,4-dihydro-2H-1,4-benzoxazin-7-ol (CID 69369715) is 2-methyl-3,4-dihydro-2H-1,4-benzoxazin-7-ol.
What is the SMILES notation for 2-methyl-3,4-dihydro-2H-1,4-benzoxazin-7-ol?
The canonical SMILES for 2-methyl-3,4-dihydro-2H-1,4-benzoxazin-7-ol is CC1CNc2ccc(O)cc2O1.
What is the InChIKey of 2-methyl-3,4-dihydro-2H-1,4-benzoxazin-7-ol?
The InChIKey is FZARGFGUVKFTGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2/c1-6-5-10-8-3-2-7(11)4-9(8)12-6/h2-4,6,10-11H,5H2,1H3.
What are the key properties of 2-methyl-3,4-dihydro-2H-1,4-benzoxazin-7-ol?
2-methyl-3,4-dihydro-2H-1,4-benzoxazin-7-ol has a molecular weight of 165.19 g/mol, XLogP of 1.59, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3,4-dihydro-2H-1,4-benzoxazin-7-ol is sourced from PubChem (CID 69369715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).