3-(1-morpholin-4-yl-3-phenylprop-2-ynyl)phenol

C19H19NO2 — CID 102055055

IUPAC3-(1-morpholin-4-yl-3-phenylprop-2-ynyl)phenol
SMILESOc1cccc(C(C#Cc2ccccc2)N2CCOCC2)c1
InChIInChI=1S/C19H19NO2/c21-18-8-4-7-17(15-18)19(20-11-13-22-14-12-20)10-9-16-5-2-1-3-6-16/h1-8,15,19,21H,11-14H2
InChIKeyBHITYWUWDAOQJO-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.82
Rot. Bonds2

About 3-(1-morpholin-4-yl-3-phenylprop-2-ynyl)phenol

3-(1-morpholin-4-yl-3-phenylprop-2-ynyl)phenol (PubChem CID 102055055) has the molecular formula C19H19NO2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 3-(1-morpholin-4-yl-3-phenylprop-2-ynyl)phenol.

Molecular Properties

Compound Name3-(1-morpholin-4-yl-3-phenylprop-2-ynyl)phenol
PubChem CID102055055
Molecular FormulaC19H19NO2
Molecular Weight293.37 g/mol
Exact Mass293.14
IUPAC Name3-(1-morpholin-4-yl-3-phenylprop-2-ynyl)phenol
SMILESOc1cccc(C(C#Cc2ccccc2)N2CCOCC2)c1
InChIInChI=1S/C19H19NO2/c21-18-8-4-7-17(15-18)19(20-11-13-22-14-12-20)10-9-16-5-2-1-3-6-16/h1-8,15,19,21H,11-14H2
InChIKeyBHITYWUWDAOQJO-UHFFFAOYSA-N
XLogP2.82
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

4-[(1R)-1-(4-methoxyphenyl)-3-phenylprop-2-ynyl]morpholine
CID 869202
2-(1-morpholin-4-yl-3-phenylprop-2-ynyl)-6-nitrophenol
CID 45146465
4-(1-phenylbut-2-ynyl)morpholine
CID 3787055
4-[1-(2-ethoxyphenyl)-3-phenylprop-2-ynyl]morpholine
CID 101430688
4-[morpholin-4-yl-[4-(2-phenylethynyl)phenyl]methyl]morpholine
CID 623968
4-(10-morpholin-4-yl-1,10-diphenyldeca-2,8-diynyl)morpholine
CID 177392713
4-(1-phenylhept-1-yn-3-yl)morpholine
CID 101430696
(2R)-2-(azepan-1-yl)-2-(3-hydroxyphenyl)acetonitrile
CID 9179426
(3-morpholin-4-yl-3-phenylprop-1-ynyl)-tri(propan-2-yl)silane
CID 11325787
1-[3-phenyl-1-(4-propan-2-ylphenyl)prop-2-ynyl]pyrrolidine
CID 142730752
4-[(Z)-2-methylsulfanyl-1,5-diphenylpent-1-en-4-yn-3-yl]morpholine
CID 102573673
1-[3-(4-fluorophenyl)-1-phenylprop-2-ynyl]piperidine
CID 102298173

Frequently Asked Questions

What is the IUPAC name of 3-(1-morpholin-4-yl-3-phenylprop-2-ynyl)phenol?
The IUPAC name of 3-(1-morpholin-4-yl-3-phenylprop-2-ynyl)phenol (CID 102055055) is 3-(1-morpholin-4-yl-3-phenylprop-2-ynyl)phenol.
What is the SMILES notation for 3-(1-morpholin-4-yl-3-phenylprop-2-ynyl)phenol?
The canonical SMILES for 3-(1-morpholin-4-yl-3-phenylprop-2-ynyl)phenol is Oc1cccc(C(C#Cc2ccccc2)N2CCOCC2)c1.
What is the InChIKey of 3-(1-morpholin-4-yl-3-phenylprop-2-ynyl)phenol?
The InChIKey is BHITYWUWDAOQJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO2/c21-18-8-4-7-17(15-18)19(20-11-13-22-14-12-20)10-9-16-5-2-1-3-6-16/h1-8,15,19,21H,11-14H2.
What are the key properties of 3-(1-morpholin-4-yl-3-phenylprop-2-ynyl)phenol?
3-(1-morpholin-4-yl-3-phenylprop-2-ynyl)phenol has a molecular weight of 293.37 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-morpholin-4-yl-3-phenylprop-2-ynyl)phenol is sourced from PubChem (CID 102055055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).