(E)-4-diphenylphosphoryl-4-methoxy-1-phenylbut-3-en-1-ol

C23H23O3P — CID 12738370

IUPAC(E)-4-diphenylphosphoryl-4-methoxy-1-phenylbut-3-en-1-ol
SMILESCO/C(=C\CC(O)c1ccccc1)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H23O3P/c1-26-23(18-17-22(24)19-11-5-2-6-12-19)27(25,20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-16,18,22,24H,17H2,1H3/b23-18+
InChIKeyDENUOSNVKCFGCS-PTGBLXJZSA-N
MW378.41 g/mol
LogP4.61
Rot. Bonds7

About (E)-4-diphenylphosphoryl-4-methoxy-1-phenylbut-3-en-1-ol

(E)-4-diphenylphosphoryl-4-methoxy-1-phenylbut-3-en-1-ol (PubChem CID 12738370) has the molecular formula C23H23O3P and a molecular weight of 378.41 g/mol. Its IUPAC name is (E)-4-diphenylphosphoryl-4-methoxy-1-phenylbut-3-en-1-ol.

Molecular Properties

Compound Name(E)-4-diphenylphosphoryl-4-methoxy-1-phenylbut-3-en-1-ol
PubChem CID12738370
Molecular FormulaC23H23O3P
Molecular Weight378.41 g/mol
Exact Mass378.14
IUPAC Name(E)-4-diphenylphosphoryl-4-methoxy-1-phenylbut-3-en-1-ol
SMILESCO/C(=C\CC(O)c1ccccc1)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H23O3P/c1-26-23(18-17-22(24)19-11-5-2-6-12-19)27(25,20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-16,18,22,24H,17H2,1H3/b23-18+
InChIKeyDENUOSNVKCFGCS-PTGBLXJZSA-N
XLogP4.61
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-4-diphenylphosphoryl-4-methoxy-1-phenylbut-3-en-1-ol?
The IUPAC name of (E)-4-diphenylphosphoryl-4-methoxy-1-phenylbut-3-en-1-ol (CID 12738370) is (E)-4-diphenylphosphoryl-4-methoxy-1-phenylbut-3-en-1-ol.
What is the SMILES notation for (E)-4-diphenylphosphoryl-4-methoxy-1-phenylbut-3-en-1-ol?
The canonical SMILES for (E)-4-diphenylphosphoryl-4-methoxy-1-phenylbut-3-en-1-ol is CO/C(=C\CC(O)c1ccccc1)P(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of (E)-4-diphenylphosphoryl-4-methoxy-1-phenylbut-3-en-1-ol?
The InChIKey is DENUOSNVKCFGCS-PTGBLXJZSA-N. The full InChI is InChI=1S/C23H23O3P/c1-26-23(18-17-22(24)19-11-5-2-6-12-19)27(25,20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-16,18,22,24H,17H2,1H3/b23-18+.
What are the key properties of (E)-4-diphenylphosphoryl-4-methoxy-1-phenylbut-3-en-1-ol?
(E)-4-diphenylphosphoryl-4-methoxy-1-phenylbut-3-en-1-ol has a molecular weight of 378.41 g/mol, XLogP of 4.61, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-diphenylphosphoryl-4-methoxy-1-phenylbut-3-en-1-ol is sourced from PubChem (CID 12738370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).