(E)-5-dimethoxyphosphoryl-1-phenylpent-1-en-3-one

C13H17O4P — CID 10563799

IUPAC(E)-5-dimethoxyphosphoryl-1-phenylpent-1-en-3-one
SMILESCOP(=O)(CCC(=O)/C=C/c1ccccc1)OC
InChIInChI=1S/C13H17O4P/c1-16-18(15,17-2)11-10-13(14)9-8-12-6-4-3-5-7-12/h3-9H,10-11H2,1-2H3/b9-8+
InChIKeyZHMOVRYNVURWOJ-CMDGGOBGSA-N
MW268.25 g/mol
LogP3.14
Rot. Bonds7

About (E)-5-dimethoxyphosphoryl-1-phenylpent-1-en-3-one

(E)-5-dimethoxyphosphoryl-1-phenylpent-1-en-3-one (PubChem CID 10563799) has the molecular formula C13H17O4P and a molecular weight of 268.25 g/mol. Its IUPAC name is (E)-5-dimethoxyphosphoryl-1-phenylpent-1-en-3-one.

Molecular Properties

Compound Name(E)-5-dimethoxyphosphoryl-1-phenylpent-1-en-3-one
PubChem CID10563799
Molecular FormulaC13H17O4P
Molecular Weight268.25 g/mol
Exact Mass268.09
IUPAC Name(E)-5-dimethoxyphosphoryl-1-phenylpent-1-en-3-one
SMILESCOP(=O)(CCC(=O)/C=C/c1ccccc1)OC
InChIInChI=1S/C13H17O4P/c1-16-18(15,17-2)11-10-13(14)9-8-12-6-4-3-5-7-12/h3-9H,10-11H2,1-2H3/b9-8+
InChIKeyZHMOVRYNVURWOJ-CMDGGOBGSA-N
XLogP3.14
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.25
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

(E)-5-oxo-7-phenylhept-6-enoic acid
CID 15101995
5-oxo-7-phenylhept-6-enoic acid
CID 72745047
methyl (E)-2-hydroxy-4-oxo-6-phenylhex-5-enoate
CID 11107258
(Z)-1-phenyltetradec-1-en-3-one
CID 98536945
1-phenylundec-1-en-3-one
CID 3805572
2-methylidene-6-oxo-8-phenyloct-7-enoic acid
CID 54019623
(7E)-2-methyl-6-oxo-8-phenyl-3-(2-phenylethenyl)octa-2,7-dienoic acid
CID 173175041
(7E)-2-methyl-6-oxo-8-phenylocta-2,7-dienoic acid
CID 67316787
2-methyl-6-oxo-8-phenylocta-2,7-dienoic acid
CID 69493754
trimethyl-(4-oxo-6-phenylhex-5-enyl)azanium chloride
CID 169084035
(E)-1-(4-methoxyphenyl)-5-phenylpent-1-en-3-one
CID 162400827
(E)-2,4-dioxo-6-phenylhex-5-enal
CID 144721272

Frequently Asked Questions

What is the IUPAC name of (E)-5-dimethoxyphosphoryl-1-phenylpent-1-en-3-one?
The IUPAC name of (E)-5-dimethoxyphosphoryl-1-phenylpent-1-en-3-one (CID 10563799) is (E)-5-dimethoxyphosphoryl-1-phenylpent-1-en-3-one.
What is the SMILES notation for (E)-5-dimethoxyphosphoryl-1-phenylpent-1-en-3-one?
The canonical SMILES for (E)-5-dimethoxyphosphoryl-1-phenylpent-1-en-3-one is COP(=O)(CCC(=O)/C=C/c1ccccc1)OC.
What is the InChIKey of (E)-5-dimethoxyphosphoryl-1-phenylpent-1-en-3-one?
The InChIKey is ZHMOVRYNVURWOJ-CMDGGOBGSA-N. The full InChI is InChI=1S/C13H17O4P/c1-16-18(15,17-2)11-10-13(14)9-8-12-6-4-3-5-7-12/h3-9H,10-11H2,1-2H3/b9-8+.
What are the key properties of (E)-5-dimethoxyphosphoryl-1-phenylpent-1-en-3-one?
(E)-5-dimethoxyphosphoryl-1-phenylpent-1-en-3-one has a molecular weight of 268.25 g/mol, XLogP of 3.14, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-dimethoxyphosphoryl-1-phenylpent-1-en-3-one is sourced from PubChem (CID 10563799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).