2-(2,3-dihydro-1,4-benzoxazin-4-yl)-1-(2-fluorophenyl)ethanol

C16H16FNO2 — CID 110888195

IUPAC2-(2,3-dihydro-1,4-benzoxazin-4-yl)-1-(2-fluorophenyl)ethanol
SMILESOC(CN1CCOc2ccccc21)c1ccccc1F
InChIInChI=1S/C16H16FNO2/c17-13-6-2-1-5-12(13)15(19)11-18-9-10-20-16-8-4-3-7-14(16)18/h1-8,15,19H,9-11H2
InChIKeyMHOGNUGPNVOZKJ-UHFFFAOYSA-N
MW273.31 g/mol
LogP2.76
Rot. Bonds3

About 2-(2,3-dihydro-1,4-benzoxazin-4-yl)-1-(2-fluorophenyl)ethanol

2-(2,3-dihydro-1,4-benzoxazin-4-yl)-1-(2-fluorophenyl)ethanol (PubChem CID 110888195) has the molecular formula C16H16FNO2 and a molecular weight of 273.31 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzoxazin-4-yl)-1-(2-fluorophenyl)ethanol.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzoxazin-4-yl)-1-(2-fluorophenyl)ethanol
PubChem CID110888195
Molecular FormulaC16H16FNO2
Molecular Weight273.31 g/mol
Exact Mass273.12
IUPAC Name2-(2,3-dihydro-1,4-benzoxazin-4-yl)-1-(2-fluorophenyl)ethanol
SMILESOC(CN1CCOc2ccccc21)c1ccccc1F
InChIInChI=1S/C16H16FNO2/c17-13-6-2-1-5-12(13)15(19)11-18-9-10-20-16-8-4-3-7-14(16)18/h1-8,15,19H,9-11H2
InChIKeyMHOGNUGPNVOZKJ-UHFFFAOYSA-N
XLogP2.76
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzoxazin-4-yl)-1-(2-fluorophenyl)ethanol?
The IUPAC name of 2-(2,3-dihydro-1,4-benzoxazin-4-yl)-1-(2-fluorophenyl)ethanol (CID 110888195) is 2-(2,3-dihydro-1,4-benzoxazin-4-yl)-1-(2-fluorophenyl)ethanol.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzoxazin-4-yl)-1-(2-fluorophenyl)ethanol?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzoxazin-4-yl)-1-(2-fluorophenyl)ethanol is OC(CN1CCOc2ccccc21)c1ccccc1F.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzoxazin-4-yl)-1-(2-fluorophenyl)ethanol?
The InChIKey is MHOGNUGPNVOZKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO2/c17-13-6-2-1-5-12(13)15(19)11-18-9-10-20-16-8-4-3-7-14(16)18/h1-8,15,19H,9-11H2.
What are the key properties of 2-(2,3-dihydro-1,4-benzoxazin-4-yl)-1-(2-fluorophenyl)ethanol?
2-(2,3-dihydro-1,4-benzoxazin-4-yl)-1-(2-fluorophenyl)ethanol has a molecular weight of 273.31 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-benzoxazin-4-yl)-1-(2-fluorophenyl)ethanol is sourced from PubChem (CID 110888195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).