2H-1,4-benzoxazin-6-ol

C8H7NO2 — CID 15825740

IUPAC2H-1,4-benzoxazin-6-ol
SMILESOc1ccc2c(c1)N=CCO2
InChIInChI=1S/C8H7NO2/c10-6-1-2-8-7(5-6)9-3-4-11-8/h1-3,5,10H,4H2
InChIKeyGJVMSURJVJNHIY-UHFFFAOYSA-N
MW149.15 g/mol
LogP1.49
Rot. Bonds

About 2H-1,4-benzoxazin-6-ol

2H-1,4-benzoxazin-6-ol (PubChem CID 15825740) has the molecular formula C8H7NO2 and a molecular weight of 149.15 g/mol. Its IUPAC name is 2H-1,4-benzoxazin-6-ol.

Molecular Properties

Compound Name2H-1,4-benzoxazin-6-ol
PubChem CID15825740
Molecular FormulaC8H7NO2
Molecular Weight149.15 g/mol
Exact Mass149.05
IUPAC Name2H-1,4-benzoxazin-6-ol
SMILESOc1ccc2c(c1)N=CCO2
InChIInChI=1S/C8H7NO2/c10-6-1-2-8-7(5-6)9-3-4-11-8/h1-3,5,10H,4H2
InChIKeyGJVMSURJVJNHIY-UHFFFAOYSA-N
XLogP1.49
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.15
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2H-1,4-benzoxazin-6-ol?
The IUPAC name of 2H-1,4-benzoxazin-6-ol (CID 15825740) is 2H-1,4-benzoxazin-6-ol.
What is the SMILES notation for 2H-1,4-benzoxazin-6-ol?
The canonical SMILES for 2H-1,4-benzoxazin-6-ol is Oc1ccc2c(c1)N=CCO2.
What is the InChIKey of 2H-1,4-benzoxazin-6-ol?
The InChIKey is GJVMSURJVJNHIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO2/c10-6-1-2-8-7(5-6)9-3-4-11-8/h1-3,5,10H,4H2.
What are the key properties of 2H-1,4-benzoxazin-6-ol?
2H-1,4-benzoxazin-6-ol has a molecular weight of 149.15 g/mol, XLogP of 1.49, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-1,4-benzoxazin-6-ol is sourced from PubChem (CID 15825740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).