(E)-2-diphenylphosphanyl-1-ethoxyethenol

C16H17O2P — CID 10896511

IUPAC(E)-2-diphenylphosphanyl-1-ethoxyethenol
SMILESCCO/C(O)=C/P(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H17O2P/c1-2-18-16(17)13-19(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-13,17H,2H2,1H3/b16-13+
InChIKeyOCJIGIYTFFGCDV-DTQAZKPQSA-N
MW272.28 g/mol
LogP3.51
Rot. Bonds5

About (E)-2-diphenylphosphanyl-1-ethoxyethenol

(E)-2-diphenylphosphanyl-1-ethoxyethenol (PubChem CID 10896511) has the molecular formula C16H17O2P and a molecular weight of 272.28 g/mol. Its IUPAC name is (E)-2-diphenylphosphanyl-1-ethoxyethenol.

Molecular Properties

Compound Name(E)-2-diphenylphosphanyl-1-ethoxyethenol
PubChem CID10896511
Molecular FormulaC16H17O2P
Molecular Weight272.28 g/mol
Exact Mass272.10
IUPAC Name(E)-2-diphenylphosphanyl-1-ethoxyethenol
SMILESCCO/C(O)=C/P(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H17O2P/c1-2-18-16(17)13-19(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-13,17H,2H2,1H3/b16-13+
InChIKeyOCJIGIYTFFGCDV-DTQAZKPQSA-N
XLogP3.51
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.28
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

ethyl (Z)-3-diphenylphosphanylprop-2-enoate
CID 10826890
ethanol;ethyl acetate;triphenylphosphane
CID 87079685
ethane;ethoxy(phenyl)phosphinous acid
CID 145394359
2-[1,2-bis(diphenylphosphanyl)ethenylsulfanyl]aniline
CID 71369008
2,2-diphenylethenyl-ethyl-phenylphosphane
CID 174770397
ethenoxyethane;triphenylphosphane
CID 175017576
(E)-N-benzyl-3-ethoxy-3-hydroxyprop-2-enamide
CID 135040365
[(Z)-1-diphenylphosphanyl-5-methylhex-1-en-2-yl]-diphenylphosphane
CID 11605137
ethyl (Z)-3-hydroxy-2-phenylprop-2-enoate
CID 12898650
1-ethoxyethenyl(triphenyl)phosphanium
CID 3016976
3,3-diethoxyprop-2-enylbenzene
CID 68782187
[(1E,3E)-2-tert-butyl-5,5-dimethylhexa-1,3-dienyl]-diphenylphosphane
CID 102241788

Frequently Asked Questions

What is the IUPAC name of (E)-2-diphenylphosphanyl-1-ethoxyethenol?
The IUPAC name of (E)-2-diphenylphosphanyl-1-ethoxyethenol (CID 10896511) is (E)-2-diphenylphosphanyl-1-ethoxyethenol.
What is the SMILES notation for (E)-2-diphenylphosphanyl-1-ethoxyethenol?
The canonical SMILES for (E)-2-diphenylphosphanyl-1-ethoxyethenol is CCO/C(O)=C/P(c1ccccc1)c1ccccc1.
What is the InChIKey of (E)-2-diphenylphosphanyl-1-ethoxyethenol?
The InChIKey is OCJIGIYTFFGCDV-DTQAZKPQSA-N. The full InChI is InChI=1S/C16H17O2P/c1-2-18-16(17)13-19(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-13,17H,2H2,1H3/b16-13+.
What are the key properties of (E)-2-diphenylphosphanyl-1-ethoxyethenol?
(E)-2-diphenylphosphanyl-1-ethoxyethenol has a molecular weight of 272.28 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-diphenylphosphanyl-1-ethoxyethenol is sourced from PubChem (CID 10896511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).