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

C20H21NO2 — CID 22973607

IUPAC1-(4-methylphenyl)-1-(4-morpholin-4-ylphenyl)prop-2-yn-1-ol
SMILESC#CC(O)(c1ccc(C)cc1)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C20H21NO2/c1-3-20(22,17-6-4-16(2)5-7-17)18-8-10-19(11-9-18)21-12-14-23-15-13-21/h1,4-11,22H,12-15H2,2H3
InChIKeyBYZNWEKALXOMAO-UHFFFAOYSA-N
MW307.39 g/mol
LogP2.70
Rot. Bonds3

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

1-(4-methylphenyl)-1-(4-morpholin-4-ylphenyl)prop-2-yn-1-ol (PubChem CID 22973607) has the molecular formula C20H21NO2 and a molecular weight of 307.39 g/mol. Its IUPAC name is 1-(4-methylphenyl)-1-(4-morpholin-4-ylphenyl)prop-2-yn-1-ol.

Molecular Properties

Compound Name1-(4-methylphenyl)-1-(4-morpholin-4-ylphenyl)prop-2-yn-1-ol
PubChem CID22973607
Molecular FormulaC20H21NO2
Molecular Weight307.39 g/mol
Exact Mass307.16
IUPAC Name1-(4-methylphenyl)-1-(4-morpholin-4-ylphenyl)prop-2-yn-1-ol
SMILESC#CC(O)(c1ccc(C)cc1)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C20H21NO2/c1-3-20(22,17-6-4-16(2)5-7-17)18-8-10-19(11-9-18)21-12-14-23-15-13-21/h1,4-11,22H,12-15H2,2H3
InChIKeyBYZNWEKALXOMAO-UHFFFAOYSA-N
XLogP2.70
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 52.70
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-[(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-(3-fluoro-4-methylphenyl)-1-(4-morpholin-4-ylphenyl)prop-2-yn-1-ol
CID 22973602
1,1-bis(4-pyrrolidin-1-ylphenyl)prop-2-yn-1-ol
CID 15508570
16-(4-methylphenyl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 71419396
1-phenyl-1-[4-(4-phenylpiperazin-1-yl)phenyl]prop-2-yn-1-ol
CID 170985732
1-(3-fluoro-4-morpholin-4-ylphenyl)-1-phenylprop-2-yn-1-ol
CID 102246642
ethane;(4-methylphenyl)-[4-[(4-morpholin-4-ylphenyl)diazenyl]phenyl]diazene
CID 157373423
1-[4-(dimethylamino)phenyl]-1-(4-methylphenyl)prop-2-yn-1-ol
CID 90194909
1,1,1,3,3,3-hexafluoro-2-[4-(4-morpholin-4-ylphenyl)phenyl]propan-2-ol
CID 46173579
4-(4-pyrrolidin-1-ylphenyl)morpholine
CID 67305085
1-(2-fluorophenyl)-1-(3-morpholin-4-ylphenyl)prop-2-yn-1-ol
CID 15509202
1-(4-fluorophenyl)-1-[4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]prop-2-yn-1-ol
CID 87295263

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-1-(4-morpholin-4-ylphenyl)prop-2-yn-1-ol?
The IUPAC name of 1-(4-methylphenyl)-1-(4-morpholin-4-ylphenyl)prop-2-yn-1-ol (CID 22973607) is 1-(4-methylphenyl)-1-(4-morpholin-4-ylphenyl)prop-2-yn-1-ol.
What is the SMILES notation for 1-(4-methylphenyl)-1-(4-morpholin-4-ylphenyl)prop-2-yn-1-ol?
The canonical SMILES for 1-(4-methylphenyl)-1-(4-morpholin-4-ylphenyl)prop-2-yn-1-ol is C#CC(O)(c1ccc(C)cc1)c1ccc(N2CCOCC2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-1-(4-morpholin-4-ylphenyl)prop-2-yn-1-ol?
The InChIKey is BYZNWEKALXOMAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO2/c1-3-20(22,17-6-4-16(2)5-7-17)18-8-10-19(11-9-18)21-12-14-23-15-13-21/h1,4-11,22H,12-15H2,2H3.
What are the key properties of 1-(4-methylphenyl)-1-(4-morpholin-4-ylphenyl)prop-2-yn-1-ol?
1-(4-methylphenyl)-1-(4-morpholin-4-ylphenyl)prop-2-yn-1-ol has a molecular weight of 307.39 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-1-(4-morpholin-4-ylphenyl)prop-2-yn-1-ol is sourced from PubChem (CID 22973607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).