4-[(1R)-1-(4-methoxyphenyl)-3-phenylprop-2-ynyl]morpholine

C20H21NO2 — CID 869202

IUPAC4-[(1R)-1-(4-methoxyphenyl)-3-phenylprop-2-ynyl]morpholine
SMILESCOc1ccc([C@H](C#Cc2ccccc2)N2CCOCC2)cc1
InChIInChI=1S/C20H21NO2/c1-22-19-10-8-18(9-11-19)20(21-13-15-23-16-14-21)12-7-17-5-3-2-4-6-17/h2-6,8-11,20H,13-16H2,1H3/t20-/m0/s1
InChIKeyWZPQVBLPNJNKIF-FQEVSTJZSA-N
MW307.39 g/mol
LogP3.12
Rot. Bonds3

About 4-[(1R)-1-(4-methoxyphenyl)-3-phenylprop-2-ynyl]morpholine

4-[(1R)-1-(4-methoxyphenyl)-3-phenylprop-2-ynyl]morpholine (PubChem CID 869202) has the molecular formula C20H21NO2 and a molecular weight of 307.39 g/mol. Its IUPAC name is 4-[(1R)-1-(4-methoxyphenyl)-3-phenylprop-2-ynyl]morpholine.

Molecular Properties

Compound Name4-[(1R)-1-(4-methoxyphenyl)-3-phenylprop-2-ynyl]morpholine
PubChem CID869202
Molecular FormulaC20H21NO2
Molecular Weight307.39 g/mol
Exact Mass307.16
IUPAC Name4-[(1R)-1-(4-methoxyphenyl)-3-phenylprop-2-ynyl]morpholine
SMILESCOc1ccc([C@H](C#Cc2ccccc2)N2CCOCC2)cc1
InChIInChI=1S/C20H21NO2/c1-22-19-10-8-18(9-11-19)20(21-13-15-23-16-14-21)12-7-17-5-3-2-4-6-17/h2-6,8-11,20H,13-16H2,1H3/t20-/m0/s1
InChIKeyWZPQVBLPNJNKIF-FQEVSTJZSA-N
XLogP3.12
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(1-morpholin-4-yl-3-phenylprop-2-ynyl)phenol
CID 102055055
4-(1-phenylbut-2-ynyl)morpholine
CID 3787055
4-[(4-methoxyphenyl)-morpholin-4-ylmethyl]morpholine
CID 609793
4-[1-(2-ethoxyphenyl)-3-phenylprop-2-ynyl]morpholine
CID 101430688
1-[3-phenyl-1-(4-propan-2-ylphenyl)prop-2-ynyl]pyrrolidine
CID 142730752
1-methoxy-4-(4-phenylbut-3-yn-2-yl)benzene
CID 53349236
4-[morpholin-4-yl-[4-(2-phenylethynyl)phenyl]methyl]morpholine
CID 623968
2-(4-methoxyphenyl)-2-morpholin-4-ylethanamine;oxalic acid
CID 171156320
[(2S)-1-[(1S)-1-(4-methoxyphenyl)-3-phenylprop-2-ynyl]pyrrolidin-2-yl]methanol
CID 138979034
4-[2-[4-(4-phenylbut-3-yn-2-yl)phenoxy]ethyl]morpholine
CID 118384322
(3-morpholin-4-yl-3-phenylprop-1-ynyl)-tri(propan-2-yl)silane
CID 11325787
4-(10-morpholin-4-yl-1,10-diphenyldeca-2,8-diynyl)morpholine
CID 177392713

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-(4-methoxyphenyl)-3-phenylprop-2-ynyl]morpholine?
The IUPAC name of 4-[(1R)-1-(4-methoxyphenyl)-3-phenylprop-2-ynyl]morpholine (CID 869202) is 4-[(1R)-1-(4-methoxyphenyl)-3-phenylprop-2-ynyl]morpholine.
What is the SMILES notation for 4-[(1R)-1-(4-methoxyphenyl)-3-phenylprop-2-ynyl]morpholine?
The canonical SMILES for 4-[(1R)-1-(4-methoxyphenyl)-3-phenylprop-2-ynyl]morpholine is COc1ccc([C@H](C#Cc2ccccc2)N2CCOCC2)cc1.
What is the InChIKey of 4-[(1R)-1-(4-methoxyphenyl)-3-phenylprop-2-ynyl]morpholine?
The InChIKey is WZPQVBLPNJNKIF-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H21NO2/c1-22-19-10-8-18(9-11-19)20(21-13-15-23-16-14-21)12-7-17-5-3-2-4-6-17/h2-6,8-11,20H,13-16H2,1H3/t20-/m0/s1.
What are the key properties of 4-[(1R)-1-(4-methoxyphenyl)-3-phenylprop-2-ynyl]morpholine?
4-[(1R)-1-(4-methoxyphenyl)-3-phenylprop-2-ynyl]morpholine has a molecular weight of 307.39 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-(4-methoxyphenyl)-3-phenylprop-2-ynyl]morpholine is sourced from PubChem (CID 869202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).