4-diphenylphosphoryl-4-(N-methylanilino)butan-1-ol

C23H26NO2P — CID 162408151

IUPAC4-diphenylphosphoryl-4-(N-methylanilino)butan-1-ol
SMILESCN(c1ccccc1)C(CCCO)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H26NO2P/c1-24(20-12-5-2-6-13-20)23(18-11-19-25)27(26,21-14-7-3-8-15-21)22-16-9-4-10-17-22/h2-10,12-17,23,25H,11,18-19H2,1H3
InChIKeyLWEXWYVLEZOMOD-UHFFFAOYSA-N
MW379.44 g/mol
LogP4.24
Rot. Bonds8

About 4-diphenylphosphoryl-4-(N-methylanilino)butan-1-ol

4-diphenylphosphoryl-4-(N-methylanilino)butan-1-ol (PubChem CID 162408151) has the molecular formula C23H26NO2P and a molecular weight of 379.44 g/mol. Its IUPAC name is 4-diphenylphosphoryl-4-(N-methylanilino)butan-1-ol.

Molecular Properties

Compound Name4-diphenylphosphoryl-4-(N-methylanilino)butan-1-ol
PubChem CID162408151
Molecular FormulaC23H26NO2P
Molecular Weight379.44 g/mol
Exact Mass379.17
IUPAC Name4-diphenylphosphoryl-4-(N-methylanilino)butan-1-ol
SMILESCN(c1ccccc1)C(CCCO)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H26NO2P/c1-24(20-12-5-2-6-13-20)23(18-11-19-25)27(26,21-14-7-3-8-15-21)22-16-9-4-10-17-22/h2-10,12-17,23,25H,11,18-19H2,1H3
InChIKeyLWEXWYVLEZOMOD-UHFFFAOYSA-N
XLogP4.24
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-diphenylphosphoryl-4-(N-methylanilino)butan-1-ol?
The IUPAC name of 4-diphenylphosphoryl-4-(N-methylanilino)butan-1-ol (CID 162408151) is 4-diphenylphosphoryl-4-(N-methylanilino)butan-1-ol.
What is the SMILES notation for 4-diphenylphosphoryl-4-(N-methylanilino)butan-1-ol?
The canonical SMILES for 4-diphenylphosphoryl-4-(N-methylanilino)butan-1-ol is CN(c1ccccc1)C(CCCO)P(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-diphenylphosphoryl-4-(N-methylanilino)butan-1-ol?
The InChIKey is LWEXWYVLEZOMOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26NO2P/c1-24(20-12-5-2-6-13-20)23(18-11-19-25)27(26,21-14-7-3-8-15-21)22-16-9-4-10-17-22/h2-10,12-17,23,25H,11,18-19H2,1H3.
What are the key properties of 4-diphenylphosphoryl-4-(N-methylanilino)butan-1-ol?
4-diphenylphosphoryl-4-(N-methylanilino)butan-1-ol has a molecular weight of 379.44 g/mol, XLogP of 4.24, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-diphenylphosphoryl-4-(N-methylanilino)butan-1-ol is sourced from PubChem (CID 162408151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).