4-[(S)-diphenylphosphoryl(furan-2-yl)methyl]morpholine

C21H22NO3P — CID 1263885

IUPAC4-[(S)-diphenylphosphoryl(furan-2-yl)methyl]morpholine
SMILESO=P(c1ccccc1)(c1ccccc1)[C@@H](c1ccco1)N1CCOCC1
InChIInChI=1S/C21H22NO3P/c23-26(18-8-3-1-4-9-18,19-10-5-2-6-11-19)21(20-12-7-15-25-20)22-13-16-24-17-14-22/h1-12,15,21H,13-14,16-17H2/t21-/m0/s1
InChIKeyGRTJLNVTZHJJFL-NRFANRHFSA-N
MW367.38 g/mol
LogP3.62
Rot. Bonds5

About 4-[(S)-diphenylphosphoryl(furan-2-yl)methyl]morpholine

4-[(S)-diphenylphosphoryl(furan-2-yl)methyl]morpholine (PubChem CID 1263885) has the molecular formula C21H22NO3P and a molecular weight of 367.38 g/mol. Its IUPAC name is 4-[(S)-diphenylphosphoryl(furan-2-yl)methyl]morpholine.

Molecular Properties

Compound Name4-[(S)-diphenylphosphoryl(furan-2-yl)methyl]morpholine
PubChem CID1263885
Molecular FormulaC21H22NO3P
Molecular Weight367.38 g/mol
Exact Mass367.13
IUPAC Name4-[(S)-diphenylphosphoryl(furan-2-yl)methyl]morpholine
SMILESO=P(c1ccccc1)(c1ccccc1)[C@@H](c1ccco1)N1CCOCC1
InChIInChI=1S/C21H22NO3P/c23-26(18-8-3-1-4-9-18,19-10-5-2-6-11-19)21(20-12-7-15-25-20)22-13-16-24-17-14-22/h1-12,15,21H,13-14,16-17H2/t21-/m0/s1
InChIKeyGRTJLNVTZHJJFL-NRFANRHFSA-N
XLogP3.62
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(1-diphenylphosphorylbutyl)morpholine
CID 86180321
4-[(S)-(4-bromophenyl)-[morpholin-4-yl(phenyl)phosphoryl]methyl]morpholine
CID 29020981
N-benzyl-N'-[(2R)-2-(furan-2-yl)-2-morpholin-4-ylethyl]oxamide
CID 7217143
(3R)-3-(furan-2-yl)-1-morpholin-4-yl-3-phenylpropan-1-one
CID 948351
N-[(2R)-2-(furan-2-yl)-2-morpholin-4-ylethyl]methanesulfonamide
CID 7243445
3-[2-(dimethylamino)ethylamino]-4-[[2-(furan-2-yl)-2-morpholin-4-ylethyl]amino]cyclobut-3-ene-1,2-dione
CID 53369664
4-[[2-[[2-(furan-2-yl)-2-morpholin-4-ylethyl]amino]-2-oxoacetyl]amino]benzoic acid
CID 52996641
3-(furan-2-yl)-1-morpholin-4-yl-4-phenylbutan-1-one
CID 131907306
3-[[(2S)-2-(furan-2-yl)-2-morpholin-4-ylethyl]amino]-4-(pyridin-2-ylmethylamino)cyclobut-3-ene-1,2-dione
CID 98232979
N-[furan-2-yl(phenyl)methyl]-2-morpholin-4-ylethanamine
CID 43178931
N-[(S)-diphenylphosphoryl(furan-2-yl)methyl]-4-methoxyaniline
CID 98528394
morpholin-4-yl-diphenyl-sulfanylidene-lambda5-phosphane
CID 10638162

Frequently Asked Questions

What is the IUPAC name of 4-[(S)-diphenylphosphoryl(furan-2-yl)methyl]morpholine?
The IUPAC name of 4-[(S)-diphenylphosphoryl(furan-2-yl)methyl]morpholine (CID 1263885) is 4-[(S)-diphenylphosphoryl(furan-2-yl)methyl]morpholine.
What is the SMILES notation for 4-[(S)-diphenylphosphoryl(furan-2-yl)methyl]morpholine?
The canonical SMILES for 4-[(S)-diphenylphosphoryl(furan-2-yl)methyl]morpholine is O=P(c1ccccc1)(c1ccccc1)[C@@H](c1ccco1)N1CCOCC1.
What is the InChIKey of 4-[(S)-diphenylphosphoryl(furan-2-yl)methyl]morpholine?
The InChIKey is GRTJLNVTZHJJFL-NRFANRHFSA-N. The full InChI is InChI=1S/C21H22NO3P/c23-26(18-8-3-1-4-9-18,19-10-5-2-6-11-19)21(20-12-7-15-25-20)22-13-16-24-17-14-22/h1-12,15,21H,13-14,16-17H2/t21-/m0/s1.
What are the key properties of 4-[(S)-diphenylphosphoryl(furan-2-yl)methyl]morpholine?
4-[(S)-diphenylphosphoryl(furan-2-yl)methyl]morpholine has a molecular weight of 367.38 g/mol, XLogP of 3.62, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(S)-diphenylphosphoryl(furan-2-yl)methyl]morpholine is sourced from PubChem (CID 1263885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).