(E)-1-dimethoxyphosphoryl-2-phenylethenol

C10H13O4P — CID 14736137

IUPAC(E)-1-dimethoxyphosphoryl-2-phenylethenol
SMILESCOP(=O)(OC)/C(O)=C/c1ccccc1
InChIInChI=1S/C10H13O4P/c1-13-15(12,14-2)10(11)8-9-6-4-3-5-7-9/h3-8,11H,1-2H3/b10-8+
InChIKeyGJVMKACEKJSBEE-CSKARUKUSA-N
MW228.18 g/mol
LogP3.03
Rot. Bonds4

About (E)-1-dimethoxyphosphoryl-2-phenylethenol

(E)-1-dimethoxyphosphoryl-2-phenylethenol (PubChem CID 14736137) has the molecular formula C10H13O4P and a molecular weight of 228.18 g/mol. Its IUPAC name is (E)-1-dimethoxyphosphoryl-2-phenylethenol.

Molecular Properties

Compound Name(E)-1-dimethoxyphosphoryl-2-phenylethenol
PubChem CID14736137
Molecular FormulaC10H13O4P
Molecular Weight228.18 g/mol
Exact Mass228.06
IUPAC Name(E)-1-dimethoxyphosphoryl-2-phenylethenol
SMILESCOP(=O)(OC)/C(O)=C/c1ccccc1
InChIInChI=1S/C10H13O4P/c1-13-15(12,14-2)10(11)8-9-6-4-3-5-7-9/h3-8,11H,1-2H3/b10-8+
InChIKeyGJVMKACEKJSBEE-CSKARUKUSA-N
XLogP3.03
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.18
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-dimethoxyphosphoryl-2-(4-methylphenyl)ethenol
CID 88713945
(E)-2-(4-chlorophenyl)-1-dimethoxyphosphorylethenol
CID 13199973
(E)-1-dimethoxyphosphoryl-2-(4-methoxyphenyl)ethenol
CID 13199975
benzaldehyde;dimethyl hydrogen phosphate
CID 174541999
(Z)-1-methoxy-2-phenylethenethiol
CID 12543362
4-[(E)-2-dimethoxyphosphoryl-2-phenylethenyl]benzonitrile
CID 122394359
(2S)-1-dimethoxyphosphoryl-2-phenylpropan-1-one
CID 125471813
2-methoxy-3-phenylprop-2-enoic acid
CID 7021154
[(E)-1-dimethoxyphosphoryl-2-methyl-3-phenylprop-2-enyl] dimethyl phosphate
CID 102305942
CID 159805914
CID 159805914
europium;tris(2-methoxy-3-phenylprop-2-enoic acid)
CID 169448208
(E)-2-dimethoxyphosphoryl-3-(4-nitrophenyl)-1-phenylprop-2-en-1-one
CID 10761039

Frequently Asked Questions

What is the IUPAC name of (E)-1-dimethoxyphosphoryl-2-phenylethenol?
The IUPAC name of (E)-1-dimethoxyphosphoryl-2-phenylethenol (CID 14736137) is (E)-1-dimethoxyphosphoryl-2-phenylethenol.
What is the SMILES notation for (E)-1-dimethoxyphosphoryl-2-phenylethenol?
The canonical SMILES for (E)-1-dimethoxyphosphoryl-2-phenylethenol is COP(=O)(OC)/C(O)=C/c1ccccc1.
What is the InChIKey of (E)-1-dimethoxyphosphoryl-2-phenylethenol?
The InChIKey is GJVMKACEKJSBEE-CSKARUKUSA-N. The full InChI is InChI=1S/C10H13O4P/c1-13-15(12,14-2)10(11)8-9-6-4-3-5-7-9/h3-8,11H,1-2H3/b10-8+.
What are the key properties of (E)-1-dimethoxyphosphoryl-2-phenylethenol?
(E)-1-dimethoxyphosphoryl-2-phenylethenol has a molecular weight of 228.18 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-dimethoxyphosphoryl-2-phenylethenol is sourced from PubChem (CID 14736137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).