[(E)-2-(2-chlorophenyl)-2-phenylethenyl] dimethyl phosphate

C16H16ClO4P — CID 174766716

IUPAC[(E)-2-(2-chlorophenyl)-2-phenylethenyl] dimethyl phosphate
SMILESCOP(=O)(OC)O/C=C(\c1ccccc1)c1ccccc1Cl
InChIInChI=1S/C16H16ClO4P/c1-19-22(18,20-2)21-12-15(13-8-4-3-5-9-13)14-10-6-7-11-16(14)17/h3-12H,1-2H3/b15-12+
InChIKeyQXYWWBWJRSQWNV-NTCAYCPXSA-N
MW338.73 g/mol
LogP5.15
Rot. Bonds6

About [(E)-2-(2-chlorophenyl)-2-phenylethenyl] dimethyl phosphate

[(E)-2-(2-chlorophenyl)-2-phenylethenyl] dimethyl phosphate (PubChem CID 174766716) has the molecular formula C16H16ClO4P and a molecular weight of 338.73 g/mol. Its IUPAC name is [(E)-2-(2-chlorophenyl)-2-phenylethenyl] dimethyl phosphate.

Molecular Properties

Compound Name[(E)-2-(2-chlorophenyl)-2-phenylethenyl] dimethyl phosphate
PubChem CID174766716
Molecular FormulaC16H16ClO4P
Molecular Weight338.73 g/mol
Exact Mass338.05
IUPAC Name[(E)-2-(2-chlorophenyl)-2-phenylethenyl] dimethyl phosphate
SMILESCOP(=O)(OC)O/C=C(\c1ccccc1)c1ccccc1Cl
InChIInChI=1S/C16H16ClO4P/c1-19-22(18,20-2)21-12-15(13-8-4-3-5-9-13)14-10-6-7-11-16(14)17/h3-12H,1-2H3/b15-12+
InChIKeyQXYWWBWJRSQWNV-NTCAYCPXSA-N
XLogP5.15
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.73
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [(E)-2-(2-chlorophenyl)-2-phenylethenyl] dimethyl phosphate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-chlorophenyl)-3-phenylprop-2-enal
CID 71369713
2-(2-chlorophenyl)-2-phenylethenamine
CID 174393832
1-chloro-2-[(E)-1,2-diphenylethenyl]benzene
CID 175564265
1-[methoxy(methyl)phosphoryl]prop-1-en-2-ylbenzene
CID 165353405
(2-chlorophenyl)-phenylmethanone;diphenylmethanone
CID 157388336
ethenyl methyl phenyl phosphate
CID 11593721
[(E)-2-chloro-1-(2,3,4-trichlorophenyl)ethenyl] dimethyl phosphate
CID 6445633
dimethoxyphosphoryl (Z)-2-methyl-3-phenylbut-2-enoate
CID 67626799
[chloro-(2-chlorophenyl)methyl] dimethyl phosphate
CID 20511059
dimethyl (1-oxo-1-phenylpropan-2-yl) phosphate
CID 132992304
1-chloro-2-(1-chloroethenyl)benzene
CID 10942929
(Z)-3-(2,3-dichlorophenyl)-3-(4-methoxyphenyl)prop-2-enoic acid
CID 19421682

Frequently Asked Questions

What is the IUPAC name of [(E)-2-(2-chlorophenyl)-2-phenylethenyl] dimethyl phosphate?
The IUPAC name of [(E)-2-(2-chlorophenyl)-2-phenylethenyl] dimethyl phosphate (CID 174766716) is [(E)-2-(2-chlorophenyl)-2-phenylethenyl] dimethyl phosphate.
What is the SMILES notation for [(E)-2-(2-chlorophenyl)-2-phenylethenyl] dimethyl phosphate?
The canonical SMILES for [(E)-2-(2-chlorophenyl)-2-phenylethenyl] dimethyl phosphate is COP(=O)(OC)O/C=C(\c1ccccc1)c1ccccc1Cl.
What is the InChIKey of [(E)-2-(2-chlorophenyl)-2-phenylethenyl] dimethyl phosphate?
The InChIKey is QXYWWBWJRSQWNV-NTCAYCPXSA-N. The full InChI is InChI=1S/C16H16ClO4P/c1-19-22(18,20-2)21-12-15(13-8-4-3-5-9-13)14-10-6-7-11-16(14)17/h3-12H,1-2H3/b15-12+.
What are the key properties of [(E)-2-(2-chlorophenyl)-2-phenylethenyl] dimethyl phosphate?
[(E)-2-(2-chlorophenyl)-2-phenylethenyl] dimethyl phosphate has a molecular weight of 338.73 g/mol, XLogP of 5.15, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-(2-chlorophenyl)-2-phenylethenyl] dimethyl phosphate is sourced from PubChem (CID 174766716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).