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

CID 2776456
CID 2776456
CID 11661439
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CID 44416802
CID 44416802
CID 44416803
CID 44416803
CID 44416821
CID 44416821
CID 44416822
CID 44416822
CID 44416950
CID 44416950
CID 40378
CID 40378
CID 3039249
CID 3039249
CID 17604319
CID 17604319
CID 15536835
CID 15536835
CID 2853822
CID 2853822

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).