ethyl (Z)-3-diphenylphosphanylprop-2-enoate

C17H17O2P — CID 10826890

IUPACethyl (Z)-3-diphenylphosphanylprop-2-enoate
SMILESCCOC(=O)/C=C\P(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H17O2P/c1-2-19-17(18)13-14-20(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-14H,2H2,1H3/b14-13-
InChIKeyXZMRLPOMYSGADL-YPKPFQOOSA-N
MW284.30 g/mol
LogP3.20
Rot. Bonds5

About ethyl (Z)-3-diphenylphosphanylprop-2-enoate

ethyl (Z)-3-diphenylphosphanylprop-2-enoate (PubChem CID 10826890) has the molecular formula C17H17O2P and a molecular weight of 284.30 g/mol. Its IUPAC name is ethyl (Z)-3-diphenylphosphanylprop-2-enoate.

Molecular Properties

Compound Nameethyl (Z)-3-diphenylphosphanylprop-2-enoate
PubChem CID10826890
Molecular FormulaC17H17O2P
Molecular Weight284.30 g/mol
Exact Mass284.10
IUPAC Nameethyl (Z)-3-diphenylphosphanylprop-2-enoate
SMILESCCOC(=O)/C=C\P(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H17O2P/c1-2-19-17(18)13-14-20(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-14H,2H2,1H3/b14-13-
InChIKeyXZMRLPOMYSGADL-YPKPFQOOSA-N
XLogP3.20
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.30
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

[(E)-3-ethoxy-3-oxoprop-1-enyl]-triphenylphosphanium
CID 59950522
(E)-2-diphenylphosphanyl-1-ethoxyethenol
CID 10896511
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ethyl 3-benzyl-4-phenylbut-2-enoate
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diethyl (E,4Z)-4-(1-phenylethylidene)pent-2-enedioate
CID 164511312
ethyl (E)-4-(dibenzylamino)(213C)but-2-enoate
CID 11151051
diethyl (2E,6E,10E)-4,9-bis[(E)-3-ethoxy-3-oxoprop-1-enyl]-5,8-diphenyldodeca-2,4,6,8,10-pentaenedioate
CID 138972057
ethyl (Z)-4-(N-methylanilino)-4-oxobut-2-enoate
CID 6152798
ethyl 3-(N-methylanilino)prop-2-enoate
CID 174882513
ethyl acetate;ethyl (E)-3-phenylprop-2-enoate
CID 163289975
CID 11966755
CID 11966755
diethyl (E)-(1,2,3,4-13C4)but-2-enedioate
CID 11298268

Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-3-diphenylphosphanylprop-2-enoate?
The IUPAC name of ethyl (Z)-3-diphenylphosphanylprop-2-enoate (CID 10826890) is ethyl (Z)-3-diphenylphosphanylprop-2-enoate.
What is the SMILES notation for ethyl (Z)-3-diphenylphosphanylprop-2-enoate?
The canonical SMILES for ethyl (Z)-3-diphenylphosphanylprop-2-enoate is CCOC(=O)/C=C\P(c1ccccc1)c1ccccc1.
What is the InChIKey of ethyl (Z)-3-diphenylphosphanylprop-2-enoate?
The InChIKey is XZMRLPOMYSGADL-YPKPFQOOSA-N. The full InChI is InChI=1S/C17H17O2P/c1-2-19-17(18)13-14-20(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-14H,2H2,1H3/b14-13-.
What are the key properties of ethyl (Z)-3-diphenylphosphanylprop-2-enoate?
ethyl (Z)-3-diphenylphosphanylprop-2-enoate has a molecular weight of 284.30 g/mol, XLogP of 3.20, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-3-diphenylphosphanylprop-2-enoate is sourced from PubChem (CID 10826890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).