4-(2-hydroxy-2-methylpropyl)-2,3-dihydro-1,4-benzoxazin-8-ol

C12H17NO3 — CID 117236046

IUPAC4-(2-hydroxy-2-methylpropyl)-2,3-dihydro-1,4-benzoxazin-8-ol
SMILESCC(C)(O)CN1CCOc2c(O)cccc21
InChIInChI=1S/C12H17NO3/c1-12(2,15)8-13-6-7-16-11-9(13)4-3-5-10(11)14/h3-5,14-15H,6-8H2,1-2H3
InChIKeyJXPUYOJGWJUILX-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.36
Rot. Bonds2

About 4-(2-hydroxy-2-methylpropyl)-2,3-dihydro-1,4-benzoxazin-8-ol

4-(2-hydroxy-2-methylpropyl)-2,3-dihydro-1,4-benzoxazin-8-ol (PubChem CID 117236046) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 4-(2-hydroxy-2-methylpropyl)-2,3-dihydro-1,4-benzoxazin-8-ol.

Molecular Properties

Compound Name4-(2-hydroxy-2-methylpropyl)-2,3-dihydro-1,4-benzoxazin-8-ol
PubChem CID117236046
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name4-(2-hydroxy-2-methylpropyl)-2,3-dihydro-1,4-benzoxazin-8-ol
SMILESCC(C)(O)CN1CCOc2c(O)cccc21
InChIInChI=1S/C12H17NO3/c1-12(2,15)8-13-6-7-16-11-9(13)4-3-5-10(11)14/h3-5,14-15H,6-8H2,1-2H3
InChIKeyJXPUYOJGWJUILX-UHFFFAOYSA-N
XLogP1.36
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(8-bromo-2,3-dihydro-1,4-benzoxazin-4-yl)-2-methylpropan-2-ol
CID 117236043
4-(2-hydroxyethyl)-2,3-dihydro-1,4-benzoxazin-8-ol
CID 22448953
3-(2-hydroxy-2-methylpropyl)-1,3-oxazolidin-2-one
CID 83815643
2-methyl-1-[6-(trifluoromethyl)-2,3-dihydro-1,4-benzoxazin-4-yl]propan-2-ol
CID 117236068
2-methyl-4-(4-methyl-2,3-dihydro-1,4-benzoxazin-8-yl)but-3-yn-2-ol
CID 156800732
1-(5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-2-methylpropan-2-ol
CID 114336015
4-ethyl-8-(1H-pyrazol-4-yl)-2,3-dihydro-1,4-benzoxazine
CID 167254291
1-(2-hydroxy-2-methylpropyl)-5-methyl-3,6-dihydro-2H-1,5-benzodiazocin-4-one
CID 70655718
4-(3-methoxy-3-methylbutanoyl)-2,3-dihydro-1,4-benzoxazine-8-carboxylic acid
CID 103019172
4-hept-6-enyl-2,3-dihydro-1,4-benzoxazine-8-carboxylic acid
CID 107007885
4-(2,3-dihydro-1-benzofuran-7-yl)-1,1,1-trifluoro-4-methyl-2-[(4-methyl-2,3-dihydroquinoxalin-1-yl)methyl]pentan-2-ol
CID 10410664
1-(2,3-dihydro-1,4-benzoxazin-4-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 110898516

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxy-2-methylpropyl)-2,3-dihydro-1,4-benzoxazin-8-ol?
The IUPAC name of 4-(2-hydroxy-2-methylpropyl)-2,3-dihydro-1,4-benzoxazin-8-ol (CID 117236046) is 4-(2-hydroxy-2-methylpropyl)-2,3-dihydro-1,4-benzoxazin-8-ol.
What is the SMILES notation for 4-(2-hydroxy-2-methylpropyl)-2,3-dihydro-1,4-benzoxazin-8-ol?
The canonical SMILES for 4-(2-hydroxy-2-methylpropyl)-2,3-dihydro-1,4-benzoxazin-8-ol is CC(C)(O)CN1CCOc2c(O)cccc21.
What is the InChIKey of 4-(2-hydroxy-2-methylpropyl)-2,3-dihydro-1,4-benzoxazin-8-ol?
The InChIKey is JXPUYOJGWJUILX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-12(2,15)8-13-6-7-16-11-9(13)4-3-5-10(11)14/h3-5,14-15H,6-8H2,1-2H3.
What are the key properties of 4-(2-hydroxy-2-methylpropyl)-2,3-dihydro-1,4-benzoxazin-8-ol?
4-(2-hydroxy-2-methylpropyl)-2,3-dihydro-1,4-benzoxazin-8-ol has a molecular weight of 223.27 g/mol, XLogP of 1.36, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxy-2-methylpropyl)-2,3-dihydro-1,4-benzoxazin-8-ol is sourced from PubChem (CID 117236046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).