(Z)-2-diethoxyphosphoryl-1-ethoxy-2-phenylethenol

C14H21O5P — CID 134873610

IUPAC(Z)-2-diethoxyphosphoryl-1-ethoxy-2-phenylethenol
SMILESCCO/C(O)=C(/c1ccccc1)P(=O)(OCC)OCC
InChIInChI=1S/C14H21O5P/c1-4-17-14(15)13(12-10-8-7-9-11-12)20(16,18-5-2)19-6-3/h7-11,15H,4-6H2,1-3H3/b14-13-
InChIKeySZZAURMATSFSCA-YPKPFQOOSA-N
MW300.29 g/mol
LogP4.17
Rot. Bonds8

About (Z)-2-diethoxyphosphoryl-1-ethoxy-2-phenylethenol

(Z)-2-diethoxyphosphoryl-1-ethoxy-2-phenylethenol (PubChem CID 134873610) has the molecular formula C14H21O5P and a molecular weight of 300.29 g/mol. Its IUPAC name is (Z)-2-diethoxyphosphoryl-1-ethoxy-2-phenylethenol.

Molecular Properties

Compound Name(Z)-2-diethoxyphosphoryl-1-ethoxy-2-phenylethenol
PubChem CID134873610
Molecular FormulaC14H21O5P
Molecular Weight300.29 g/mol
Exact Mass300.11
IUPAC Name(Z)-2-diethoxyphosphoryl-1-ethoxy-2-phenylethenol
SMILESCCO/C(O)=C(/c1ccccc1)P(=O)(OCC)OCC
InChIInChI=1S/C14H21O5P/c1-4-17-14(15)13(12-10-8-7-9-11-12)20(16,18-5-2)19-6-3/h7-11,15H,4-6H2,1-3H3/b14-13-
InChIKeySZZAURMATSFSCA-YPKPFQOOSA-N
XLogP4.17
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.29
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

[(Z)-1-diethoxyphosphorylprop-1-enyl]benzene
CID 15103917
N-[(Z)-1-diethoxyphosphoryl-3-morpholin-4-yl-3-oxo-1-phenylprop-1-en-2-yl]benzamide
CID 6104632
N-[(Z)-1-diethoxyphosphoryl-3-oxo-1-phenyl-3-(pyrimidin-2-ylamino)prop-1-en-2-yl]benzamide
CID 2308943
CID 158970570
CID 158970570
CID 10333321
CID 10333321
N-[(E)-[diethoxyphosphoryl(phenyl)methylidene]amino]-2-hydroxybenzamide
CID 6898837
N-[[diethoxyphosphoryl(phenyl)methylidene]amino]-2-hydroxybenzamide
CID 2305451
(Z)-2-[2-[2-[(E)-2-diazonio-2-diethoxyphosphoryl-1-hydroxyethenoxy]ethoxy]ethoxy]-2-hydroxy-1-phenylethenediazonium
CID 11826545
ethyl (E)-3-diethoxyphosphoryl-4-phenylbut-2-enoate
CID 13288536
2-diethoxyphosphorylprop-2-enoxymethylbenzene
CID 11129808
N-[(Z)-1-diethoxyphosphoryl-2-piperidin-1-ylethenyl]benzamide
CID 2829765
ethyl 2-oxo-2-phenylacetate
CID 15349

Frequently Asked Questions

What is the IUPAC name of (Z)-2-diethoxyphosphoryl-1-ethoxy-2-phenylethenol?
The IUPAC name of (Z)-2-diethoxyphosphoryl-1-ethoxy-2-phenylethenol (CID 134873610) is (Z)-2-diethoxyphosphoryl-1-ethoxy-2-phenylethenol.
What is the SMILES notation for (Z)-2-diethoxyphosphoryl-1-ethoxy-2-phenylethenol?
The canonical SMILES for (Z)-2-diethoxyphosphoryl-1-ethoxy-2-phenylethenol is CCO/C(O)=C(/c1ccccc1)P(=O)(OCC)OCC.
What is the InChIKey of (Z)-2-diethoxyphosphoryl-1-ethoxy-2-phenylethenol?
The InChIKey is SZZAURMATSFSCA-YPKPFQOOSA-N. The full InChI is InChI=1S/C14H21O5P/c1-4-17-14(15)13(12-10-8-7-9-11-12)20(16,18-5-2)19-6-3/h7-11,15H,4-6H2,1-3H3/b14-13-.
What are the key properties of (Z)-2-diethoxyphosphoryl-1-ethoxy-2-phenylethenol?
(Z)-2-diethoxyphosphoryl-1-ethoxy-2-phenylethenol has a molecular weight of 300.29 g/mol, XLogP of 4.17, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-diethoxyphosphoryl-1-ethoxy-2-phenylethenol is sourced from PubChem (CID 134873610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).