3-(4-chlorophenyl)prop-2-enyl diethyl phosphate

C13H18ClO4P — CID 71374649

IUPAC3-(4-chlorophenyl)prop-2-enyl diethyl phosphate
SMILESCCOP(=O)(OCC)OCC=Cc1ccc(Cl)cc1
InChIInChI=1S/C13H18ClO4P/c1-3-16-19(15,17-4-2)18-11-5-6-12-7-9-13(14)10-8-12/h5-10H,3-4,11H2,1-2H3
InChIKeyGYTQMGNGPVOMSW-UHFFFAOYSA-N
MW304.71 g/mol
LogP4.55
Rot. Bonds8

About 3-(4-chlorophenyl)prop-2-enyl diethyl phosphate

3-(4-chlorophenyl)prop-2-enyl diethyl phosphate (PubChem CID 71374649) has the molecular formula C13H18ClO4P and a molecular weight of 304.71 g/mol. Its IUPAC name is 3-(4-chlorophenyl)prop-2-enyl diethyl phosphate.

Molecular Properties

Compound Name3-(4-chlorophenyl)prop-2-enyl diethyl phosphate
PubChem CID71374649
Molecular FormulaC13H18ClO4P
Molecular Weight304.71 g/mol
Exact Mass304.06
IUPAC Name3-(4-chlorophenyl)prop-2-enyl diethyl phosphate
SMILESCCOP(=O)(OCC)OCC=Cc1ccc(Cl)cc1
InChIInChI=1S/C13H18ClO4P/c1-3-16-19(15,17-4-2)18-11-5-6-12-7-9-13(14)10-8-12/h5-10H,3-4,11H2,1-2H3
InChIKeyGYTQMGNGPVOMSW-UHFFFAOYSA-N
XLogP4.55
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.71
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)prop-2-enyl diethyl phosphate?
The IUPAC name of 3-(4-chlorophenyl)prop-2-enyl diethyl phosphate (CID 71374649) is 3-(4-chlorophenyl)prop-2-enyl diethyl phosphate.
What is the SMILES notation for 3-(4-chlorophenyl)prop-2-enyl diethyl phosphate?
The canonical SMILES for 3-(4-chlorophenyl)prop-2-enyl diethyl phosphate is CCOP(=O)(OCC)OCC=Cc1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)prop-2-enyl diethyl phosphate?
The InChIKey is GYTQMGNGPVOMSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClO4P/c1-3-16-19(15,17-4-2)18-11-5-6-12-7-9-13(14)10-8-12/h5-10H,3-4,11H2,1-2H3.
What are the key properties of 3-(4-chlorophenyl)prop-2-enyl diethyl phosphate?
3-(4-chlorophenyl)prop-2-enyl diethyl phosphate has a molecular weight of 304.71 g/mol, XLogP of 4.55, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)prop-2-enyl diethyl phosphate is sourced from PubChem (CID 71374649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).