(E)-4-diethoxyphosphoryl-1-phenylbut-3-en-1-ol

C14H21O4P — CID 11087304

IUPAC(E)-4-diethoxyphosphoryl-1-phenylbut-3-en-1-ol
SMILESCCOP(=O)(/C=C/CC(O)c1ccccc1)OCC
InChIInChI=1S/C14H21O4P/c1-3-17-19(16,18-4-2)12-8-11-14(15)13-9-6-5-7-10-13/h5-10,12,14-15H,3-4,11H2,1-2H3/b12-8+
InChIKeyMTXUBPSPVBSJBW-XYOKQWHBSA-N
MW284.29 g/mol
LogP3.89
Rot. Bonds8

About (E)-4-diethoxyphosphoryl-1-phenylbut-3-en-1-ol

(E)-4-diethoxyphosphoryl-1-phenylbut-3-en-1-ol (PubChem CID 11087304) has the molecular formula C14H21O4P and a molecular weight of 284.29 g/mol. Its IUPAC name is (E)-4-diethoxyphosphoryl-1-phenylbut-3-en-1-ol.

Molecular Properties

Compound Name(E)-4-diethoxyphosphoryl-1-phenylbut-3-en-1-ol
PubChem CID11087304
Molecular FormulaC14H21O4P
Molecular Weight284.29 g/mol
Exact Mass284.12
IUPAC Name(E)-4-diethoxyphosphoryl-1-phenylbut-3-en-1-ol
SMILESCCOP(=O)(/C=C/CC(O)c1ccccc1)OCC
InChIInChI=1S/C14H21O4P/c1-3-17-19(16,18-4-2)12-8-11-14(15)13-9-6-5-7-10-13/h5-10,12,14-15H,3-4,11H2,1-2H3/b12-8+
InChIKeyMTXUBPSPVBSJBW-XYOKQWHBSA-N
XLogP3.89
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-4-diethoxyphosphoryl-1-(4-nitrophenyl)but-3-en-1-ol
CID 14904827
(Z)-4-ethoxy-1-phenylbut-3-en-1-ol
CID 44889759
4-ethoxy-1-phenylbut-3-en-1-ol
CID 4552736
(E)-3-diethoxyphosphoryl-1-phenylprop-2-en-1-one
CID 11850559
2-[(E)-4-diethoxyphosphorylbut-3-enyl]sulfanylphenol
CID 59991485
(Z,1S,6R)-1-phenylhept-3-ene-1,6-diol
CID 135057186
2-[diethoxyphosphoryl(methyl)amino]-1-phenylpropan-1-ol
CID 66624386
(E)-4-chloro-1-phenylbut-3-en-1-ol
CID 11240835
(E,1S)-4-fluoro-1-phenylbut-3-en-1-ol
CID 124567652
(3S)-3-hydroxy-3-phenylpropanal
CID 13061659
bis(diethoxyphosphoryl)methylbenzene
CID 11132243
diethyl (Z)-2-[(E)-5-hydroxy-5-phenylpent-2-enyl]-3-methylbut-2-enedioate
CID 101357446

Frequently Asked Questions

What is the IUPAC name of (E)-4-diethoxyphosphoryl-1-phenylbut-3-en-1-ol?
The IUPAC name of (E)-4-diethoxyphosphoryl-1-phenylbut-3-en-1-ol (CID 11087304) is (E)-4-diethoxyphosphoryl-1-phenylbut-3-en-1-ol.
What is the SMILES notation for (E)-4-diethoxyphosphoryl-1-phenylbut-3-en-1-ol?
The canonical SMILES for (E)-4-diethoxyphosphoryl-1-phenylbut-3-en-1-ol is CCOP(=O)(/C=C/CC(O)c1ccccc1)OCC.
What is the InChIKey of (E)-4-diethoxyphosphoryl-1-phenylbut-3-en-1-ol?
The InChIKey is MTXUBPSPVBSJBW-XYOKQWHBSA-N. The full InChI is InChI=1S/C14H21O4P/c1-3-17-19(16,18-4-2)12-8-11-14(15)13-9-6-5-7-10-13/h5-10,12,14-15H,3-4,11H2,1-2H3/b12-8+.
What are the key properties of (E)-4-diethoxyphosphoryl-1-phenylbut-3-en-1-ol?
(E)-4-diethoxyphosphoryl-1-phenylbut-3-en-1-ol has a molecular weight of 284.29 g/mol, XLogP of 3.89, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-diethoxyphosphoryl-1-phenylbut-3-en-1-ol is sourced from PubChem (CID 11087304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).