1-(3-fluoro-4-methylphenyl)-1-(4-morpholin-4-ylphenyl)prop-2-yn-1-ol

C20H20FNO2 — CID 22973602

IUPAC1-(3-fluoro-4-methylphenyl)-1-(4-morpholin-4-ylphenyl)prop-2-yn-1-ol
SMILESC#CC(O)(c1ccc(N2CCOCC2)cc1)c1ccc(C)c(F)c1
InChIInChI=1S/C20H20FNO2/c1-3-20(23,17-5-4-15(2)19(21)14-17)16-6-8-18(9-7-16)22-10-12-24-13-11-22/h1,4-9,14,23H,10-13H2,2H3
InChIKeySWWVGKSAGFKCNK-UHFFFAOYSA-N
MW325.38 g/mol
LogP2.84
Rot. Bonds3

About 1-(3-fluoro-4-methylphenyl)-1-(4-morpholin-4-ylphenyl)prop-2-yn-1-ol

1-(3-fluoro-4-methylphenyl)-1-(4-morpholin-4-ylphenyl)prop-2-yn-1-ol (PubChem CID 22973602) has the molecular formula C20H20FNO2 and a molecular weight of 325.38 g/mol. Its IUPAC name is 1-(3-fluoro-4-methylphenyl)-1-(4-morpholin-4-ylphenyl)prop-2-yn-1-ol.

Molecular Properties

Compound Name1-(3-fluoro-4-methylphenyl)-1-(4-morpholin-4-ylphenyl)prop-2-yn-1-ol
PubChem CID22973602
Molecular FormulaC20H20FNO2
Molecular Weight325.38 g/mol
Exact Mass325.15
IUPAC Name1-(3-fluoro-4-methylphenyl)-1-(4-morpholin-4-ylphenyl)prop-2-yn-1-ol
SMILESC#CC(O)(c1ccc(N2CCOCC2)cc1)c1ccc(C)c(F)c1
InChIInChI=1S/C20H20FNO2/c1-3-20(23,17-5-4-15(2)19(21)14-17)16-6-8-18(9-7-16)22-10-12-24-13-11-22/h1,4-9,14,23H,10-13H2,2H3
InChIKeySWWVGKSAGFKCNK-UHFFFAOYSA-N
XLogP2.84
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.38
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-(4-methylphenyl)-1-(4-morpholin-4-ylphenyl)prop-2-yn-1-ol
CID 22973607
1-(3-fluoro-4-morpholin-4-ylphenyl)-1-phenylprop-2-yn-1-ol
CID 102246642
1-[4-[(E)-2-[4-[1-hydroxy-1-(4-morpholin-4-ylphenyl)prop-2-ynyl]phenyl]ethenyl]phenyl]-1-(4-morpholin-4-ylphenyl)prop-2-yn-1-ol
CID 169006830
1,1-bis(4-pyrrolidin-1-ylphenyl)prop-2-yn-1-ol
CID 15508570
1-(2-fluorophenyl)-1-(3-morpholin-4-ylphenyl)prop-2-yn-1-ol
CID 15509202
1-phenyl-1-[4-(4-phenylpiperazin-1-yl)phenyl]prop-2-yn-1-ol
CID 170985732
3-fluoro-4-methyl-N-(4-morpholin-4-ylphenyl)benzamide
CID 17467075
1-(4-fluorophenyl)-1-[4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]prop-2-yn-1-ol
CID 87295263
4-(4-ethynyl-3-methylphenyl)morpholine
CID 169489219
1-(3-fluoro-4-methylphenyl)-4-phenylpiperazine
CID 155276373
1,1,1,3,3,3-hexafluoro-2-[4-(4-morpholin-4-ylphenyl)phenyl]propan-2-ol
CID 46173579
3-hydroxy-3-methoxy-3-(4-morpholin-4-ylphenyl)propanenitrile
CID 175382214

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methylphenyl)-1-(4-morpholin-4-ylphenyl)prop-2-yn-1-ol?
The IUPAC name of 1-(3-fluoro-4-methylphenyl)-1-(4-morpholin-4-ylphenyl)prop-2-yn-1-ol (CID 22973602) is 1-(3-fluoro-4-methylphenyl)-1-(4-morpholin-4-ylphenyl)prop-2-yn-1-ol.
What is the SMILES notation for 1-(3-fluoro-4-methylphenyl)-1-(4-morpholin-4-ylphenyl)prop-2-yn-1-ol?
The canonical SMILES for 1-(3-fluoro-4-methylphenyl)-1-(4-morpholin-4-ylphenyl)prop-2-yn-1-ol is C#CC(O)(c1ccc(N2CCOCC2)cc1)c1ccc(C)c(F)c1.
What is the InChIKey of 1-(3-fluoro-4-methylphenyl)-1-(4-morpholin-4-ylphenyl)prop-2-yn-1-ol?
The InChIKey is SWWVGKSAGFKCNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FNO2/c1-3-20(23,17-5-4-15(2)19(21)14-17)16-6-8-18(9-7-16)22-10-12-24-13-11-22/h1,4-9,14,23H,10-13H2,2H3.
What are the key properties of 1-(3-fluoro-4-methylphenyl)-1-(4-morpholin-4-ylphenyl)prop-2-yn-1-ol?
1-(3-fluoro-4-methylphenyl)-1-(4-morpholin-4-ylphenyl)prop-2-yn-1-ol has a molecular weight of 325.38 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methylphenyl)-1-(4-morpholin-4-ylphenyl)prop-2-yn-1-ol is sourced from PubChem (CID 22973602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).