4-[diethoxyphosphoryl-(4-methoxyphenyl)methyl]morpholine

C16H26NO5P — CID 101471387

IUPAC4-[diethoxyphosphoryl-(4-methoxyphenyl)methyl]morpholine
SMILESCCOP(=O)(OCC)C(c1ccc(OC)cc1)N1CCOCC1
InChIInChI=1S/C16H26NO5P/c1-4-21-23(18,22-5-2)16(17-10-12-20-13-11-17)14-6-8-15(19-3)9-7-14/h6-9,16H,4-5,10-13H2,1-3H3
InChIKeyWPZPLJJBYUSINB-UHFFFAOYSA-N
MW343.36 g/mol
LogP3.29
Rot. Bonds8

About 4-[diethoxyphosphoryl-(4-methoxyphenyl)methyl]morpholine

4-[diethoxyphosphoryl-(4-methoxyphenyl)methyl]morpholine (PubChem CID 101471387) has the molecular formula C16H26NO5P and a molecular weight of 343.36 g/mol. Its IUPAC name is 4-[diethoxyphosphoryl-(4-methoxyphenyl)methyl]morpholine.

Molecular Properties

Compound Name4-[diethoxyphosphoryl-(4-methoxyphenyl)methyl]morpholine
PubChem CID101471387
Molecular FormulaC16H26NO5P
Molecular Weight343.36 g/mol
Exact Mass343.15
IUPAC Name4-[diethoxyphosphoryl-(4-methoxyphenyl)methyl]morpholine
SMILESCCOP(=O)(OCC)C(c1ccc(OC)cc1)N1CCOCC1
InChIInChI=1S/C16H26NO5P/c1-4-21-23(18,22-5-2)16(17-10-12-20-13-11-17)14-6-8-15(19-3)9-7-14/h6-9,16H,4-5,10-13H2,1-3H3
InChIKeyWPZPLJJBYUSINB-UHFFFAOYSA-N
XLogP3.29
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.36
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[(4-methoxyphenyl)-morpholin-4-ylmethyl]morpholine
CID 609793
4-[(E)-1-diethoxyphosphoryl-3-phenylprop-2-enyl]morpholine
CID 11198557
(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylacetamide
CID 92642329
(3R)-3-(4-methoxyphenyl)-3-morpholin-4-ylpropanoic acid
CID 8022836
3-(4-methoxyphenyl)-3-morpholin-4-ylpropanoic acid
CID 64527154
ethyl N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]carbamate
CID 112502614
1-[diethoxyphosphoryl(nitroso)methyl]-4-methoxybenzene
CID 90848416
N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide
CID 43006637
2-(4-methoxyphenyl)-2-morpholin-4-ylethanamine;oxalic acid
CID 171156320
ethyl (2S)-2-diethoxyphosphoryl-2-(4-methoxyphenyl)acetate
CID 125466938
4-(4-methoxyphenyl)-4-morpholin-4-ylbutan-1-amine
CID 112501198
N-[diphenoxyphosphoryl-(4-methoxyphenyl)methyl]-2-morpholin-4-ylacetamide
CID 3302290

Frequently Asked Questions

What is the IUPAC name of 4-[diethoxyphosphoryl-(4-methoxyphenyl)methyl]morpholine?
The IUPAC name of 4-[diethoxyphosphoryl-(4-methoxyphenyl)methyl]morpholine (CID 101471387) is 4-[diethoxyphosphoryl-(4-methoxyphenyl)methyl]morpholine.
What is the SMILES notation for 4-[diethoxyphosphoryl-(4-methoxyphenyl)methyl]morpholine?
The canonical SMILES for 4-[diethoxyphosphoryl-(4-methoxyphenyl)methyl]morpholine is CCOP(=O)(OCC)C(c1ccc(OC)cc1)N1CCOCC1.
What is the InChIKey of 4-[diethoxyphosphoryl-(4-methoxyphenyl)methyl]morpholine?
The InChIKey is WPZPLJJBYUSINB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26NO5P/c1-4-21-23(18,22-5-2)16(17-10-12-20-13-11-17)14-6-8-15(19-3)9-7-14/h6-9,16H,4-5,10-13H2,1-3H3.
What are the key properties of 4-[diethoxyphosphoryl-(4-methoxyphenyl)methyl]morpholine?
4-[diethoxyphosphoryl-(4-methoxyphenyl)methyl]morpholine has a molecular weight of 343.36 g/mol, XLogP of 3.29, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[diethoxyphosphoryl-(4-methoxyphenyl)methyl]morpholine is sourced from PubChem (CID 101471387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).