1-(2,3-dihydro-1,4-benzoxazin-4-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol

C15H23NO3 — CID 110898516

IUPAC1-(2,3-dihydro-1,4-benzoxazin-4-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
SMILESCC(C)(C)OCC(O)CN1CCOc2ccccc21
InChIInChI=1S/C15H23NO3/c1-15(2,3)19-11-12(17)10-16-8-9-18-14-7-5-4-6-13(14)16/h4-7,12,17H,8-11H2,1-3H3
InChIKeyRCTCVAAXTLMFHY-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.06
Rot. Bonds4

About 1-(2,3-dihydro-1,4-benzoxazin-4-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol

1-(2,3-dihydro-1,4-benzoxazin-4-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol (PubChem CID 110898516) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzoxazin-4-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzoxazin-4-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
PubChem CID110898516
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name1-(2,3-dihydro-1,4-benzoxazin-4-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
SMILESCC(C)(C)OCC(O)CN1CCOc2ccccc21
InChIInChI=1S/C15H23NO3/c1-15(2,3)19-11-12(17)10-16-8-9-18-14-7-5-4-6-13(14)16/h4-7,12,17H,8-11H2,1-3H3
InChIKeyRCTCVAAXTLMFHY-UHFFFAOYSA-N
XLogP2.06
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzoxazin-4-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol?
The IUPAC name of 1-(2,3-dihydro-1,4-benzoxazin-4-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol (CID 110898516) is 1-(2,3-dihydro-1,4-benzoxazin-4-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzoxazin-4-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzoxazin-4-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol is CC(C)(C)OCC(O)CN1CCOc2ccccc21.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzoxazin-4-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol?
The InChIKey is RCTCVAAXTLMFHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-15(2,3)19-11-12(17)10-16-8-9-18-14-7-5-4-6-13(14)16/h4-7,12,17H,8-11H2,1-3H3.
What are the key properties of 1-(2,3-dihydro-1,4-benzoxazin-4-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol?
1-(2,3-dihydro-1,4-benzoxazin-4-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol has a molecular weight of 265.35 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1,4-benzoxazin-4-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol is sourced from PubChem (CID 110898516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).