(Z)-4-diphenoxyphosphinothioyloxypent-3-en-2-one

C17H17O4PS — CID 10043329

IUPAC(Z)-4-diphenoxyphosphinothioyloxypent-3-en-2-one
SMILESCC(=O)/C=C(/C)OP(=S)(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C17H17O4PS/c1-14(18)13-15(2)19-22(23,20-16-9-5-3-6-10-16)21-17-11-7-4-8-12-17/h3-13H,1-2H3/b15-13-
InChIKeyQISZFISWDXCIJB-SQFISAMPSA-N
MW348.36 g/mol
LogP4.88
Rot. Bonds7

About (Z)-4-diphenoxyphosphinothioyloxypent-3-en-2-one

(Z)-4-diphenoxyphosphinothioyloxypent-3-en-2-one (PubChem CID 10043329) has the molecular formula C17H17O4PS and a molecular weight of 348.36 g/mol. Its IUPAC name is (Z)-4-diphenoxyphosphinothioyloxypent-3-en-2-one.

Molecular Properties

Compound Name(Z)-4-diphenoxyphosphinothioyloxypent-3-en-2-one
PubChem CID10043329
Molecular FormulaC17H17O4PS
Molecular Weight348.36 g/mol
Exact Mass348.06
IUPAC Name(Z)-4-diphenoxyphosphinothioyloxypent-3-en-2-one
SMILESCC(=O)/C=C(/C)OP(=S)(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C17H17O4PS/c1-14(18)13-15(2)19-22(23,20-16-9-5-3-6-10-16)21-17-11-7-4-8-12-17/h3-13H,1-2H3/b15-13-
InChIKeyQISZFISWDXCIJB-SQFISAMPSA-N
XLogP4.88
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

4-oxopent-2-en-2-yl diphenyl phosphate
CID 71319134
isocyanic acid;triphenoxy(sulfanylidene)-λ5-phosphane
CID 172773715
[hydroxy(phenoxy)phosphoryl] acetate
CID 10198286
4-phenylpent-3-en-2-one
CID 594380
ethane;4-phenylpent-3-en-2-one
CID 123324566
phenyl acetate;hydroiodide
CID 172788123
[(E)-but-2-en-2-yl] phenyl carbonate
CID 121217638
(3-methylphenoxy)-diphenoxy-sulfanylidene-λ5-phosphane
CID 89083431
sodium;hydride;phenyl acetate
CID 159991718
dihydroxy-phenoxy-sulfanylidene-λ5-phosphane;ethene
CID 88776379
lithium;hydride;phenyl acetate
CID 173276859
[hydroxy(phenoxy)phosphoryl]oxidanium
CID 102269872

Frequently Asked Questions

What is the IUPAC name of (Z)-4-diphenoxyphosphinothioyloxypent-3-en-2-one?
The IUPAC name of (Z)-4-diphenoxyphosphinothioyloxypent-3-en-2-one (CID 10043329) is (Z)-4-diphenoxyphosphinothioyloxypent-3-en-2-one.
What is the SMILES notation for (Z)-4-diphenoxyphosphinothioyloxypent-3-en-2-one?
The canonical SMILES for (Z)-4-diphenoxyphosphinothioyloxypent-3-en-2-one is CC(=O)/C=C(/C)OP(=S)(Oc1ccccc1)Oc1ccccc1.
What is the InChIKey of (Z)-4-diphenoxyphosphinothioyloxypent-3-en-2-one?
The InChIKey is QISZFISWDXCIJB-SQFISAMPSA-N. The full InChI is InChI=1S/C17H17O4PS/c1-14(18)13-15(2)19-22(23,20-16-9-5-3-6-10-16)21-17-11-7-4-8-12-17/h3-13H,1-2H3/b15-13-.
What are the key properties of (Z)-4-diphenoxyphosphinothioyloxypent-3-en-2-one?
(Z)-4-diphenoxyphosphinothioyloxypent-3-en-2-one has a molecular weight of 348.36 g/mol, XLogP of 4.88, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-diphenoxyphosphinothioyloxypent-3-en-2-one is sourced from PubChem (CID 10043329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).