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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Related Compounds

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CID 14893331
(3S)-3-ethenyl-2-(trifluoromethyl)-1,2,3,5-tetrahydro-4,1-benzoxazepine
CID 57213441
2-quinolin-4-yl-2,4-dihydro-1H-3,1-benzoxazine
CID 43818980
trimethyl(1,2,3,4-tetrahydroquinolin-2-yl)silane
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(2S)-2-[(2S)-2,3-dihydro-1H-indol-2-yl]-2,3-dihydro-1H-indole
CID 139181598
2-(1,3-dioxolan-2-yl)-2,3-dihydro-1H-indole
CID 91804990
2-tert-butyl-1,2,3,4-tetrahydroquinolin-3-ol
CID 165467715
2-(2,3-dihydro-1H-indol-2-yl)cyclohexan-1-ol
CID 11031290
bis(2,3-dihydro-1H-indol-2-yl)methanone
CID 174436301
(2S)-2-(iodomethyl)-2,3-dihydro-1H-indole
CID 26338665
(1R,2S)-1-(1,5-dihydro-2,4-benzodioxepin-3-yl)propane-1,2-diol
CID 54174694

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).