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

C8H9NO2 — CID 90839695

IUPAC2,4-dihydro-1H-3,1-benzoxazin-2-ol
SMILESOC1Nc2ccccc2CO1
InChIInChI=1S/C8H9NO2/c10-8-9-7-4-2-1-3-6(7)5-11-8/h1-4,8-10H,5H2
InChIKeyKVCAOKWEQZMOAS-UHFFFAOYSA-N
MW151.16 g/mol
LogP0.90
Rot. Bonds

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

2,4-dihydro-1H-3,1-benzoxazin-2-ol (PubChem CID 90839695) has the molecular formula C8H9NO2 and a molecular weight of 151.16 g/mol. Its IUPAC name is 2,4-dihydro-1H-3,1-benzoxazin-2-ol.

Molecular Properties

Compound Name2,4-dihydro-1H-3,1-benzoxazin-2-ol
PubChem CID90839695
Molecular FormulaC8H9NO2
Molecular Weight151.16 g/mol
Exact Mass151.06
IUPAC Name2,4-dihydro-1H-3,1-benzoxazin-2-ol
SMILESOC1Nc2ccccc2CO1
InChIInChI=1S/C8H9NO2/c10-8-9-7-4-2-1-3-6(7)5-11-8/h1-4,8-10H,5H2
InChIKeyKVCAOKWEQZMOAS-UHFFFAOYSA-N
XLogP0.90
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 ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-dihydro-1H-3,1-benzoxazin-2-ol?
The IUPAC name of 2,4-dihydro-1H-3,1-benzoxazin-2-ol (CID 90839695) is 2,4-dihydro-1H-3,1-benzoxazin-2-ol.
What is the SMILES notation for 2,4-dihydro-1H-3,1-benzoxazin-2-ol?
The canonical SMILES for 2,4-dihydro-1H-3,1-benzoxazin-2-ol is OC1Nc2ccccc2CO1.
What is the InChIKey of 2,4-dihydro-1H-3,1-benzoxazin-2-ol?
The InChIKey is KVCAOKWEQZMOAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2/c10-8-9-7-4-2-1-3-6(7)5-11-8/h1-4,8-10H,5H2.
What are the key properties of 2,4-dihydro-1H-3,1-benzoxazin-2-ol?
2,4-dihydro-1H-3,1-benzoxazin-2-ol has a molecular weight of 151.16 g/mol, XLogP of 0.90, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dihydro-1H-3,1-benzoxazin-2-ol is sourced from PubChem (CID 90839695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).