2-(5-fluoro-2-methylphenyl)-1-(4-propylmorpholin-2-yl)ethanol

C16H24FNO2 — CID 105373525

IUPAC2-(5-fluoro-2-methylphenyl)-1-(4-propylmorpholin-2-yl)ethanol
SMILESCCCN1CCOC(C(O)Cc2cc(F)ccc2C)C1
InChIInChI=1S/C16H24FNO2/c1-3-6-18-7-8-20-16(11-18)15(19)10-13-9-14(17)5-4-12(13)2/h4-5,9,15-16,19H,3,6-8,10-11H2,1-2H3
InChIKeyVLVHOULNOLMMGE-UHFFFAOYSA-N
MW281.37 g/mol
LogP2.15
Rot. Bonds5

About 2-(5-fluoro-2-methylphenyl)-1-(4-propylmorpholin-2-yl)ethanol

2-(5-fluoro-2-methylphenyl)-1-(4-propylmorpholin-2-yl)ethanol (PubChem CID 105373525) has the molecular formula C16H24FNO2 and a molecular weight of 281.37 g/mol. Its IUPAC name is 2-(5-fluoro-2-methylphenyl)-1-(4-propylmorpholin-2-yl)ethanol.

Molecular Properties

Compound Name2-(5-fluoro-2-methylphenyl)-1-(4-propylmorpholin-2-yl)ethanol
PubChem CID105373525
Molecular FormulaC16H24FNO2
Molecular Weight281.37 g/mol
Exact Mass281.18
IUPAC Name2-(5-fluoro-2-methylphenyl)-1-(4-propylmorpholin-2-yl)ethanol
SMILESCCCN1CCOC(C(O)Cc2cc(F)ccc2C)C1
InChIInChI=1S/C16H24FNO2/c1-3-6-18-7-8-20-16(11-18)15(19)10-13-9-14(17)5-4-12(13)2/h4-5,9,15-16,19H,3,6-8,10-11H2,1-2H3
InChIKeyVLVHOULNOLMMGE-UHFFFAOYSA-N
XLogP2.15
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.37
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-methylphenyl)-1-(4-propylmorpholin-2-yl)ethanol?
The IUPAC name of 2-(5-fluoro-2-methylphenyl)-1-(4-propylmorpholin-2-yl)ethanol (CID 105373525) is 2-(5-fluoro-2-methylphenyl)-1-(4-propylmorpholin-2-yl)ethanol.
What is the SMILES notation for 2-(5-fluoro-2-methylphenyl)-1-(4-propylmorpholin-2-yl)ethanol?
The canonical SMILES for 2-(5-fluoro-2-methylphenyl)-1-(4-propylmorpholin-2-yl)ethanol is CCCN1CCOC(C(O)Cc2cc(F)ccc2C)C1.
What is the InChIKey of 2-(5-fluoro-2-methylphenyl)-1-(4-propylmorpholin-2-yl)ethanol?
The InChIKey is VLVHOULNOLMMGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO2/c1-3-6-18-7-8-20-16(11-18)15(19)10-13-9-14(17)5-4-12(13)2/h4-5,9,15-16,19H,3,6-8,10-11H2,1-2H3.
What are the key properties of 2-(5-fluoro-2-methylphenyl)-1-(4-propylmorpholin-2-yl)ethanol?
2-(5-fluoro-2-methylphenyl)-1-(4-propylmorpholin-2-yl)ethanol has a molecular weight of 281.37 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-methylphenyl)-1-(4-propylmorpholin-2-yl)ethanol is sourced from PubChem (CID 105373525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).