1-(4-fluoro-2-methylphenyl)-2-[3-(2-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]ethanol

C16H21FN4O2 — CID 154756495

IUPAC1-(4-fluoro-2-methylphenyl)-2-[3-(2-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]ethanol
SMILESCc1cc(F)ccc1C(O)CN1CCOCC1c1ncnn1C
InChIInChI=1S/C16H21FN4O2/c1-11-7-12(17)3-4-13(11)15(22)8-21-5-6-23-9-14(21)16-18-10-19-20(16)2/h3-4,7,10,14-15,22H,5-6,8-9H2,1-2H3
InChIKeyJNMOUYWBMUHGBR-UHFFFAOYSA-N
MW320.37 g/mol
LogP1.37
Rot. Bonds4

About 1-(4-fluoro-2-methylphenyl)-2-[3-(2-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]ethanol

1-(4-fluoro-2-methylphenyl)-2-[3-(2-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]ethanol (PubChem CID 154756495) has the molecular formula C16H21FN4O2 and a molecular weight of 320.37 g/mol. Its IUPAC name is 1-(4-fluoro-2-methylphenyl)-2-[3-(2-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]ethanol.

Molecular Properties

Compound Name1-(4-fluoro-2-methylphenyl)-2-[3-(2-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]ethanol
PubChem CID154756495
Molecular FormulaC16H21FN4O2
Molecular Weight320.37 g/mol
Exact Mass320.16
IUPAC Name1-(4-fluoro-2-methylphenyl)-2-[3-(2-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]ethanol
SMILESCc1cc(F)ccc1C(O)CN1CCOCC1c1ncnn1C
InChIInChI=1S/C16H21FN4O2/c1-11-7-12(17)3-4-13(11)15(22)8-21-5-6-23-9-14(21)16-18-10-19-20(16)2/h3-4,7,10,14-15,22H,5-6,8-9H2,1-2H3
InChIKeyJNMOUYWBMUHGBR-UHFFFAOYSA-N
XLogP1.37
TPSA63.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-methylphenyl)-2-[3-(2-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]ethanol?
The IUPAC name of 1-(4-fluoro-2-methylphenyl)-2-[3-(2-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]ethanol (CID 154756495) is 1-(4-fluoro-2-methylphenyl)-2-[3-(2-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]ethanol.
What is the SMILES notation for 1-(4-fluoro-2-methylphenyl)-2-[3-(2-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]ethanol?
The canonical SMILES for 1-(4-fluoro-2-methylphenyl)-2-[3-(2-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]ethanol is Cc1cc(F)ccc1C(O)CN1CCOCC1c1ncnn1C.
What is the InChIKey of 1-(4-fluoro-2-methylphenyl)-2-[3-(2-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]ethanol?
The InChIKey is JNMOUYWBMUHGBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN4O2/c1-11-7-12(17)3-4-13(11)15(22)8-21-5-6-23-9-14(21)16-18-10-19-20(16)2/h3-4,7,10,14-15,22H,5-6,8-9H2,1-2H3.
What are the key properties of 1-(4-fluoro-2-methylphenyl)-2-[3-(2-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]ethanol?
1-(4-fluoro-2-methylphenyl)-2-[3-(2-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]ethanol has a molecular weight of 320.37 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-methylphenyl)-2-[3-(2-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]ethanol is sourced from PubChem (CID 154756495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).