1-(8-bromo-2,3-dihydro-1,4-benzoxazin-4-yl)-2-methylpropan-2-ol

C12H16BrNO2 — CID 117236043

IUPAC1-(8-bromo-2,3-dihydro-1,4-benzoxazin-4-yl)-2-methylpropan-2-ol
SMILESCC(C)(O)CN1CCOc2c(Br)cccc21
InChIInChI=1S/C12H16BrNO2/c1-12(2,15)8-14-6-7-16-11-9(13)4-3-5-10(11)14/h3-5,15H,6-8H2,1-2H3
InChIKeyFICFAMCXUPLAAR-UHFFFAOYSA-N
MW286.17 g/mol
LogP2.42
Rot. Bonds2

About 1-(8-bromo-2,3-dihydro-1,4-benzoxazin-4-yl)-2-methylpropan-2-ol

1-(8-bromo-2,3-dihydro-1,4-benzoxazin-4-yl)-2-methylpropan-2-ol (PubChem CID 117236043) has the molecular formula C12H16BrNO2 and a molecular weight of 286.17 g/mol. Its IUPAC name is 1-(8-bromo-2,3-dihydro-1,4-benzoxazin-4-yl)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(8-bromo-2,3-dihydro-1,4-benzoxazin-4-yl)-2-methylpropan-2-ol
PubChem CID117236043
Molecular FormulaC12H16BrNO2
Molecular Weight286.17 g/mol
Exact Mass285.04
IUPAC Name1-(8-bromo-2,3-dihydro-1,4-benzoxazin-4-yl)-2-methylpropan-2-ol
SMILESCC(C)(O)CN1CCOc2c(Br)cccc21
InChIInChI=1S/C12H16BrNO2/c1-12(2,15)8-14-6-7-16-11-9(13)4-3-5-10(11)14/h3-5,15H,6-8H2,1-2H3
InChIKeyFICFAMCXUPLAAR-UHFFFAOYSA-N
XLogP2.42
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(8-bromo-2,3-dihydro-1,4-benzoxazin-4-yl)-2-methylpropan-2-ol?
The IUPAC name of 1-(8-bromo-2,3-dihydro-1,4-benzoxazin-4-yl)-2-methylpropan-2-ol (CID 117236043) is 1-(8-bromo-2,3-dihydro-1,4-benzoxazin-4-yl)-2-methylpropan-2-ol.
What is the SMILES notation for 1-(8-bromo-2,3-dihydro-1,4-benzoxazin-4-yl)-2-methylpropan-2-ol?
The canonical SMILES for 1-(8-bromo-2,3-dihydro-1,4-benzoxazin-4-yl)-2-methylpropan-2-ol is CC(C)(O)CN1CCOc2c(Br)cccc21.
What is the InChIKey of 1-(8-bromo-2,3-dihydro-1,4-benzoxazin-4-yl)-2-methylpropan-2-ol?
The InChIKey is FICFAMCXUPLAAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO2/c1-12(2,15)8-14-6-7-16-11-9(13)4-3-5-10(11)14/h3-5,15H,6-8H2,1-2H3.
What are the key properties of 1-(8-bromo-2,3-dihydro-1,4-benzoxazin-4-yl)-2-methylpropan-2-ol?
1-(8-bromo-2,3-dihydro-1,4-benzoxazin-4-yl)-2-methylpropan-2-ol has a molecular weight of 286.17 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-bromo-2,3-dihydro-1,4-benzoxazin-4-yl)-2-methylpropan-2-ol is sourced from PubChem (CID 117236043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).