3,4-dihydro-2H-1,2-benzoxazin-6-ol

C8H9NO2 — CID 66693230

IUPAC3,4-dihydro-2H-1,2-benzoxazin-6-ol
SMILESOc1ccc2c(c1)CCNO2
InChIInChI=1S/C8H9NO2/c10-7-1-2-8-6(5-7)3-4-9-11-8/h1-2,5,9-10H,3-4H2
InChIKeyXVZLWHCKSOUAED-UHFFFAOYSA-N
MW151.16 g/mol
LogP0.83
Rot. Bonds

About 3,4-dihydro-2H-1,2-benzoxazin-6-ol

3,4-dihydro-2H-1,2-benzoxazin-6-ol (PubChem CID 66693230) has the molecular formula C8H9NO2 and a molecular weight of 151.16 g/mol. Its IUPAC name is 3,4-dihydro-2H-1,2-benzoxazin-6-ol.

Molecular Properties

Compound Name3,4-dihydro-2H-1,2-benzoxazin-6-ol
PubChem CID66693230
Molecular FormulaC8H9NO2
Molecular Weight151.16 g/mol
Exact Mass151.06
IUPAC Name3,4-dihydro-2H-1,2-benzoxazin-6-ol
SMILESOc1ccc2c(c1)CCNO2
InChIInChI=1S/C8H9NO2/c10-7-1-2-8-6(5-7)3-4-9-11-8/h1-2,5,9-10H,3-4H2
InChIKeyXVZLWHCKSOUAED-UHFFFAOYSA-N
XLogP0.83
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.16
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-1,2-benzoxazin-6-ol?
The IUPAC name of 3,4-dihydro-2H-1,2-benzoxazin-6-ol (CID 66693230) is 3,4-dihydro-2H-1,2-benzoxazin-6-ol.
What is the SMILES notation for 3,4-dihydro-2H-1,2-benzoxazin-6-ol?
The canonical SMILES for 3,4-dihydro-2H-1,2-benzoxazin-6-ol is Oc1ccc2c(c1)CCNO2.
What is the InChIKey of 3,4-dihydro-2H-1,2-benzoxazin-6-ol?
The InChIKey is XVZLWHCKSOUAED-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2/c10-7-1-2-8-6(5-7)3-4-9-11-8/h1-2,5,9-10H,3-4H2.
What are the key properties of 3,4-dihydro-2H-1,2-benzoxazin-6-ol?
3,4-dihydro-2H-1,2-benzoxazin-6-ol has a molecular weight of 151.16 g/mol, XLogP of 0.83, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-1,2-benzoxazin-6-ol is sourced from PubChem (CID 66693230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).