(E)-4-diphenylphosphorylbut-3-en-1-ol

C16H17O2P — CID 11161596

IUPAC(E)-4-diphenylphosphorylbut-3-en-1-ol
SMILESO=P(/C=C/CCO)(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H17O2P/c17-13-7-8-14-19(18,15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-6,8-12,14,17H,7,13H2/b14-8+
InChIKeyWWFZGKFJJBZXFG-RIYZIHGNSA-N
MW272.28 g/mol
LogP2.90
Rot. Bonds5

About (E)-4-diphenylphosphorylbut-3-en-1-ol

(E)-4-diphenylphosphorylbut-3-en-1-ol (PubChem CID 11161596) has the molecular formula C16H17O2P and a molecular weight of 272.28 g/mol. Its IUPAC name is (E)-4-diphenylphosphorylbut-3-en-1-ol.

Molecular Properties

Compound Name(E)-4-diphenylphosphorylbut-3-en-1-ol
PubChem CID11161596
Molecular FormulaC16H17O2P
Molecular Weight272.28 g/mol
Exact Mass272.10
IUPAC Name(E)-4-diphenylphosphorylbut-3-en-1-ol
SMILESO=P(/C=C/CCO)(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H17O2P/c17-13-7-8-14-19(18,15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-6,8-12,14,17H,7,13H2/b14-8+
InChIKeyWWFZGKFJJBZXFG-RIYZIHGNSA-N
XLogP2.90
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.28
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-4-diphenylphosphorylbut-3-en-1-ol?
The IUPAC name of (E)-4-diphenylphosphorylbut-3-en-1-ol (CID 11161596) is (E)-4-diphenylphosphorylbut-3-en-1-ol.
What is the SMILES notation for (E)-4-diphenylphosphorylbut-3-en-1-ol?
The canonical SMILES for (E)-4-diphenylphosphorylbut-3-en-1-ol is O=P(/C=C/CCO)(c1ccccc1)c1ccccc1.
What is the InChIKey of (E)-4-diphenylphosphorylbut-3-en-1-ol?
The InChIKey is WWFZGKFJJBZXFG-RIYZIHGNSA-N. The full InChI is InChI=1S/C16H17O2P/c17-13-7-8-14-19(18,15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-6,8-12,14,17H,7,13H2/b14-8+.
What are the key properties of (E)-4-diphenylphosphorylbut-3-en-1-ol?
(E)-4-diphenylphosphorylbut-3-en-1-ol has a molecular weight of 272.28 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-diphenylphosphorylbut-3-en-1-ol is sourced from PubChem (CID 11161596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).