[(E)-2-chloro-1-phenylethenyl] diethyl phosphate

C12H16ClO4P — CID 6445756

IUPAC[(E)-2-chloro-1-phenylethenyl] diethyl phosphate
SMILESCCOP(=O)(OCC)O/C(=C/Cl)c1ccccc1
InChIInChI=1S/C12H16ClO4P/c1-3-15-18(14,16-4-2)17-12(10-13)11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3/b12-10+
InChIKeyLPHRLQIUJWZJDT-ZRDIBKRKSA-N
MW290.68 g/mol
LogP4.42
Rot. Bonds7

About [(E)-2-chloro-1-phenylethenyl] diethyl phosphate

[(E)-2-chloro-1-phenylethenyl] diethyl phosphate (PubChem CID 6445756) has the molecular formula C12H16ClO4P and a molecular weight of 290.68 g/mol. Its IUPAC name is [(E)-2-chloro-1-phenylethenyl] diethyl phosphate.

Molecular Properties

Compound Name[(E)-2-chloro-1-phenylethenyl] diethyl phosphate
PubChem CID6445756
Molecular FormulaC12H16ClO4P
Molecular Weight290.68 g/mol
Exact Mass290.05
IUPAC Name[(E)-2-chloro-1-phenylethenyl] diethyl phosphate
SMILESCCOP(=O)(OCC)O/C(=C/Cl)c1ccccc1
InChIInChI=1S/C12H16ClO4P/c1-3-15-18(14,16-4-2)17-12(10-13)11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3/b12-10+
InChIKeyLPHRLQIUJWZJDT-ZRDIBKRKSA-N
XLogP4.42
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.68
LogP ≤ 54.42
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'}

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Frequently Asked Questions

What is the IUPAC name of [(E)-2-chloro-1-phenylethenyl] diethyl phosphate?
The IUPAC name of [(E)-2-chloro-1-phenylethenyl] diethyl phosphate (CID 6445756) is [(E)-2-chloro-1-phenylethenyl] diethyl phosphate.
What is the SMILES notation for [(E)-2-chloro-1-phenylethenyl] diethyl phosphate?
The canonical SMILES for [(E)-2-chloro-1-phenylethenyl] diethyl phosphate is CCOP(=O)(OCC)O/C(=C/Cl)c1ccccc1.
What is the InChIKey of [(E)-2-chloro-1-phenylethenyl] diethyl phosphate?
The InChIKey is LPHRLQIUJWZJDT-ZRDIBKRKSA-N. The full InChI is InChI=1S/C12H16ClO4P/c1-3-15-18(14,16-4-2)17-12(10-13)11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3/b12-10+.
What are the key properties of [(E)-2-chloro-1-phenylethenyl] diethyl phosphate?
[(E)-2-chloro-1-phenylethenyl] diethyl phosphate has a molecular weight of 290.68 g/mol, XLogP of 4.42, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-chloro-1-phenylethenyl] diethyl phosphate is sourced from PubChem (CID 6445756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).