ethyl (Z)-3-ethenoxy-3-phenyl-2-phenylsulfanylprop-2-enoate

C19H18O3S — CID 132514668

IUPACethyl (Z)-3-ethenoxy-3-phenyl-2-phenylsulfanylprop-2-enoate
SMILESC=CO/C(=C(\Sc1ccccc1)C(=O)OCC)c1ccccc1
InChIInChI=1S/C19H18O3S/c1-3-21-17(15-11-7-5-8-12-15)18(19(20)22-4-2)23-16-13-9-6-10-14-16/h3,5-14H,1,4H2,2H3/b18-17-
InChIKeySAGCZABPOKPFEI-ZCXUNETKSA-N
MW326.42 g/mol
LogP4.87
Rot. Bonds7

About ethyl (Z)-3-ethenoxy-3-phenyl-2-phenylsulfanylprop-2-enoate

ethyl (Z)-3-ethenoxy-3-phenyl-2-phenylsulfanylprop-2-enoate (PubChem CID 132514668) has the molecular formula C19H18O3S and a molecular weight of 326.42 g/mol. Its IUPAC name is ethyl (Z)-3-ethenoxy-3-phenyl-2-phenylsulfanylprop-2-enoate.

Molecular Properties

Compound Nameethyl (Z)-3-ethenoxy-3-phenyl-2-phenylsulfanylprop-2-enoate
PubChem CID132514668
Molecular FormulaC19H18O3S
Molecular Weight326.42 g/mol
Exact Mass326.10
IUPAC Nameethyl (Z)-3-ethenoxy-3-phenyl-2-phenylsulfanylprop-2-enoate
SMILESC=CO/C(=C(\Sc1ccccc1)C(=O)OCC)c1ccccc1
InChIInChI=1S/C19H18O3S/c1-3-21-17(15-11-7-5-8-12-15)18(19(20)22-4-2)23-16-13-9-6-10-14-16/h3,5-14H,1,4H2,2H3/b18-17-
InChIKeySAGCZABPOKPFEI-ZCXUNETKSA-N
XLogP4.87
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethenyl benzoate;2-methylprop-1-ene
CID 174957134
2-[ethoxy(phenyl)methylidene]propanedioic acid
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ethyl 2-oxo-2-phenylacetate
CID 15349
ethenyl benzoate
CID 158178912
diethyl 2-(phenylsulfanylmethylidene)propanedioate
CID 11208259
ethyl (Z)-3-hydroxy-2-phenylprop-2-enoate
CID 12898650
ethyl (Z)-3-amino-2-phenylprop-2-enoate
CID 168921248
CID 69279397
CID 69279397
ethyl 5-cyano-2-hydroxy-5-phenylsulfanylpenta-2,4-dienoate
CID 88607716
(Z)-4-hydroxy-4-phenyl-3-phenylsulfanylbut-3-en-2-one
CID 2267014
ethyl 4-hydroxy-2-oxo-4-phenylbut-3-enoate
CID 3863165
ethyl 2-phenylpent-2-enoate
CID 148550128

Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-3-ethenoxy-3-phenyl-2-phenylsulfanylprop-2-enoate?
The IUPAC name of ethyl (Z)-3-ethenoxy-3-phenyl-2-phenylsulfanylprop-2-enoate (CID 132514668) is ethyl (Z)-3-ethenoxy-3-phenyl-2-phenylsulfanylprop-2-enoate.
What is the SMILES notation for ethyl (Z)-3-ethenoxy-3-phenyl-2-phenylsulfanylprop-2-enoate?
The canonical SMILES for ethyl (Z)-3-ethenoxy-3-phenyl-2-phenylsulfanylprop-2-enoate is C=CO/C(=C(\Sc1ccccc1)C(=O)OCC)c1ccccc1.
What is the InChIKey of ethyl (Z)-3-ethenoxy-3-phenyl-2-phenylsulfanylprop-2-enoate?
The InChIKey is SAGCZABPOKPFEI-ZCXUNETKSA-N. The full InChI is InChI=1S/C19H18O3S/c1-3-21-17(15-11-7-5-8-12-15)18(19(20)22-4-2)23-16-13-9-6-10-14-16/h3,5-14H,1,4H2,2H3/b18-17-.
What are the key properties of ethyl (Z)-3-ethenoxy-3-phenyl-2-phenylsulfanylprop-2-enoate?
ethyl (Z)-3-ethenoxy-3-phenyl-2-phenylsulfanylprop-2-enoate has a molecular weight of 326.42 g/mol, XLogP of 4.87, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-3-ethenoxy-3-phenyl-2-phenylsulfanylprop-2-enoate is sourced from PubChem (CID 132514668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).