1-(1-diphenylphosphorylethoxy)-2-methylpropan-2-ol

C18H23O3P — CID 14928098

IUPAC1-(1-diphenylphosphorylethoxy)-2-methylpropan-2-ol
SMILESCC(OCC(C)(C)O)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H23O3P/c1-15(21-14-18(2,3)19)22(20,16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,15,19H,14H2,1-3H3
InChIKeyWDXUWXMAYXHOBO-UHFFFAOYSA-N
MW318.35 g/mol
LogP3.13
Rot. Bonds6

About 1-(1-diphenylphosphorylethoxy)-2-methylpropan-2-ol

1-(1-diphenylphosphorylethoxy)-2-methylpropan-2-ol (PubChem CID 14928098) has the molecular formula C18H23O3P and a molecular weight of 318.35 g/mol. Its IUPAC name is 1-(1-diphenylphosphorylethoxy)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(1-diphenylphosphorylethoxy)-2-methylpropan-2-ol
PubChem CID14928098
Molecular FormulaC18H23O3P
Molecular Weight318.35 g/mol
Exact Mass318.14
IUPAC Name1-(1-diphenylphosphorylethoxy)-2-methylpropan-2-ol
SMILESCC(OCC(C)(C)O)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H23O3P/c1-15(21-14-18(2,3)19)22(20,16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,15,19H,14H2,1-3H3
InChIKeyWDXUWXMAYXHOBO-UHFFFAOYSA-N
XLogP3.13
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(1-diphenylphosphorylethoxy)-2-methylpropan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(1-diphenylphosphorylethoxy)-2-methylpropan-2-ol?
The IUPAC name of 1-(1-diphenylphosphorylethoxy)-2-methylpropan-2-ol (CID 14928098) is 1-(1-diphenylphosphorylethoxy)-2-methylpropan-2-ol.
What is the SMILES notation for 1-(1-diphenylphosphorylethoxy)-2-methylpropan-2-ol?
The canonical SMILES for 1-(1-diphenylphosphorylethoxy)-2-methylpropan-2-ol is CC(OCC(C)(C)O)P(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-(1-diphenylphosphorylethoxy)-2-methylpropan-2-ol?
The InChIKey is WDXUWXMAYXHOBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23O3P/c1-15(21-14-18(2,3)19)22(20,16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,15,19H,14H2,1-3H3.
What are the key properties of 1-(1-diphenylphosphorylethoxy)-2-methylpropan-2-ol?
1-(1-diphenylphosphorylethoxy)-2-methylpropan-2-ol has a molecular weight of 318.35 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-diphenylphosphorylethoxy)-2-methylpropan-2-ol is sourced from PubChem (CID 14928098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).