diethoxyphosphoryl-[4-(dimethylamino)phenyl]methanol

C13H22NO4P — CID 3664226

IUPACdiethoxyphosphoryl-[4-(dimethylamino)phenyl]methanol
SMILESCCOP(=O)(OCC)C(O)c1ccc(N(C)C)cc1
InChIInChI=1S/C13H22NO4P/c1-5-17-19(16,18-6-2)13(15)11-7-9-12(10-8-11)14(3)4/h7-10,13,15H,5-6H2,1-4H3
InChIKeySXTWQRMUDCHEBC-UHFFFAOYSA-N
MW287.30 g/mol
LogP3.01
Rot. Bonds7

About diethoxyphosphoryl-[4-(dimethylamino)phenyl]methanol

diethoxyphosphoryl-[4-(dimethylamino)phenyl]methanol (PubChem CID 3664226) has the molecular formula C13H22NO4P and a molecular weight of 287.30 g/mol. Its IUPAC name is diethoxyphosphoryl-[4-(dimethylamino)phenyl]methanol.

Molecular Properties

Compound Namediethoxyphosphoryl-[4-(dimethylamino)phenyl]methanol
PubChem CID3664226
Molecular FormulaC13H22NO4P
Molecular Weight287.30 g/mol
Exact Mass287.13
IUPAC Namediethoxyphosphoryl-[4-(dimethylamino)phenyl]methanol
SMILESCCOP(=O)(OCC)C(O)c1ccc(N(C)C)cc1
InChIInChI=1S/C13H22NO4P/c1-5-17-19(16,18-6-2)13(15)11-7-9-12(10-8-11)14(3)4/h7-10,13,15H,5-6H2,1-4H3
InChIKeySXTWQRMUDCHEBC-UHFFFAOYSA-N
XLogP3.01
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.30
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of diethoxyphosphoryl-[4-(dimethylamino)phenyl]methanol?
The IUPAC name of diethoxyphosphoryl-[4-(dimethylamino)phenyl]methanol (CID 3664226) is diethoxyphosphoryl-[4-(dimethylamino)phenyl]methanol.
What is the SMILES notation for diethoxyphosphoryl-[4-(dimethylamino)phenyl]methanol?
The canonical SMILES for diethoxyphosphoryl-[4-(dimethylamino)phenyl]methanol is CCOP(=O)(OCC)C(O)c1ccc(N(C)C)cc1.
What is the InChIKey of diethoxyphosphoryl-[4-(dimethylamino)phenyl]methanol?
The InChIKey is SXTWQRMUDCHEBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22NO4P/c1-5-17-19(16,18-6-2)13(15)11-7-9-12(10-8-11)14(3)4/h7-10,13,15H,5-6H2,1-4H3.
What are the key properties of diethoxyphosphoryl-[4-(dimethylamino)phenyl]methanol?
diethoxyphosphoryl-[4-(dimethylamino)phenyl]methanol has a molecular weight of 287.30 g/mol, XLogP of 3.01, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxyphosphoryl-[4-(dimethylamino)phenyl]methanol is sourced from PubChem (CID 3664226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).