diethyl [3-[(Z)-2-phenylethenyl]cyclohexen-1-yl] phosphate

C18H25O4P — CID 15448423

IUPACdiethyl [3-[(Z)-2-phenylethenyl]cyclohexen-1-yl] phosphate
SMILESCCOP(=O)(OCC)OC1=CC(/C=C\c2ccccc2)CCC1
InChIInChI=1S/C18H25O4P/c1-3-20-23(19,21-4-2)22-18-12-8-11-17(15-18)14-13-16-9-6-5-7-10-16/h5-7,9-10,13-15,17H,3-4,8,11-12H2,1-2H3/b14-13-
InChIKeyFVVWEXDEMRGYQY-YPKPFQOOSA-N
MW336.37 g/mol
LogP5.58
Rot. Bonds8

About diethyl [3-[(Z)-2-phenylethenyl]cyclohexen-1-yl] phosphate

diethyl [3-[(Z)-2-phenylethenyl]cyclohexen-1-yl] phosphate (PubChem CID 15448423) has the molecular formula C18H25O4P and a molecular weight of 336.37 g/mol. Its IUPAC name is diethyl [3-[(Z)-2-phenylethenyl]cyclohexen-1-yl] phosphate.

Molecular Properties

Compound Namediethyl [3-[(Z)-2-phenylethenyl]cyclohexen-1-yl] phosphate
PubChem CID15448423
Molecular FormulaC18H25O4P
Molecular Weight336.37 g/mol
Exact Mass336.15
IUPAC Namediethyl [3-[(Z)-2-phenylethenyl]cyclohexen-1-yl] phosphate
SMILESCCOP(=O)(OCC)OC1=CC(/C=C\c2ccccc2)CCC1
InChIInChI=1S/C18H25O4P/c1-3-20-23(19,21-4-2)22-18-12-8-11-17(15-18)14-13-16-9-6-5-7-10-16/h5-7,9-10,13-15,17H,3-4,8,11-12H2,1-2H3/b14-13-
InChIKeyFVVWEXDEMRGYQY-YPKPFQOOSA-N
XLogP5.58
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.37
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze diethyl [3-[(Z)-2-phenylethenyl]cyclohexen-1-yl] 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

trimethyl-[3-[(Z)-2-phenylethenyl]cyclopenten-1-yl]oxysilane
CID 15448421
(1-cyano-3-phenylprop-2-enyl) diethyl phosphate
CID 71420190
ethyl formate;2-(2-phenylethenyl)cyclopentan-1-ol
CID 174505838
diethyl [3-[(E)-2-pyridin-4-ylethenyl]phenyl] phosphate
CID 125496991
1-diethoxyphosphoryl-3-phenylprop-2-en-1-ol
CID 71366492
(E,1S)-1-diethoxyphosphoryl-3-phenylprop-2-en-1-ol
CID 12543687
methyl (E)-2-diethoxyphosphoryloxy-4-phenylbut-3-enoate
CID 177460867
diethyl 1-phenylprop-1-enyl phosphate
CID 71355749
diethyl 1-phenylsulfanylprop-1-en-2-yl phosphate
CID 71351687
[(E)-1-diethoxyphosphoryl-3-phenylprop-2-enyl]-trimethylsilane
CID 10568157
[(1E,3Z)-4-diethoxyphosphoryl-4-fluorobuta-1,3-dienyl]benzene
CID 135002683
S-[(1Z,3E)-2-diethoxyphosphoryloxy-4-phenylbuta-1,3-dienyl] ethanethioate
CID 134932310

Frequently Asked Questions

What is the IUPAC name of diethyl [3-[(Z)-2-phenylethenyl]cyclohexen-1-yl] phosphate?
The IUPAC name of diethyl [3-[(Z)-2-phenylethenyl]cyclohexen-1-yl] phosphate (CID 15448423) is diethyl [3-[(Z)-2-phenylethenyl]cyclohexen-1-yl] phosphate.
What is the SMILES notation for diethyl [3-[(Z)-2-phenylethenyl]cyclohexen-1-yl] phosphate?
The canonical SMILES for diethyl [3-[(Z)-2-phenylethenyl]cyclohexen-1-yl] phosphate is CCOP(=O)(OCC)OC1=CC(/C=C\c2ccccc2)CCC1.
What is the InChIKey of diethyl [3-[(Z)-2-phenylethenyl]cyclohexen-1-yl] phosphate?
The InChIKey is FVVWEXDEMRGYQY-YPKPFQOOSA-N. The full InChI is InChI=1S/C18H25O4P/c1-3-20-23(19,21-4-2)22-18-12-8-11-17(15-18)14-13-16-9-6-5-7-10-16/h5-7,9-10,13-15,17H,3-4,8,11-12H2,1-2H3/b14-13-.
What are the key properties of diethyl [3-[(Z)-2-phenylethenyl]cyclohexen-1-yl] phosphate?
diethyl [3-[(Z)-2-phenylethenyl]cyclohexen-1-yl] phosphate has a molecular weight of 336.37 g/mol, XLogP of 5.58, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl [3-[(Z)-2-phenylethenyl]cyclohexen-1-yl] phosphate is sourced from PubChem (CID 15448423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).