ethyl (Z)-3-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonyloxyprop-2-enoate

C19H20O6S — CID 122220839

IUPACethyl (Z)-3-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonyloxyprop-2-enoate
SMILESCCOC(=O)/C=C(\OS(=O)(=O)c1ccc(C)cc1)c1ccc(OC)cc1
InChIInChI=1S/C19H20O6S/c1-4-24-19(20)13-18(15-7-9-16(23-3)10-8-15)25-26(21,22)17-11-5-14(2)6-12-17/h5-13H,4H2,1-3H3/b18-13-
InChIKeyRZRRZJXFGTYOCO-AQTBWJFISA-N
MW376.43 g/mol
LogP3.31
Rot. Bonds7

About ethyl (Z)-3-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonyloxyprop-2-enoate

ethyl (Z)-3-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonyloxyprop-2-enoate (PubChem CID 122220839) has the molecular formula C19H20O6S and a molecular weight of 376.43 g/mol. Its IUPAC name is ethyl (Z)-3-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonyloxyprop-2-enoate.

Molecular Properties

Compound Nameethyl (Z)-3-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonyloxyprop-2-enoate
PubChem CID122220839
Molecular FormulaC19H20O6S
Molecular Weight376.43 g/mol
Exact Mass376.10
IUPAC Nameethyl (Z)-3-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonyloxyprop-2-enoate
SMILESCCOC(=O)/C=C(\OS(=O)(=O)c1ccc(C)cc1)c1ccc(OC)cc1
InChIInChI=1S/C19H20O6S/c1-4-24-19(20)13-18(15-7-9-16(23-3)10-8-15)25-26(21,22)17-11-5-14(2)6-12-17/h5-13H,4H2,1-3H3/b18-13-
InChIKeyRZRRZJXFGTYOCO-AQTBWJFISA-N
XLogP3.31
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Related Compounds

ethyl (Z)-3-(4-chlorophenyl)-3-(4-methylphenyl)sulfonyloxyprop-2-enoate
CID 122220841
ethyl (E)-3-amino-3-(4-methoxyanilino)prop-2-enoate
CID 737874
ethyl (Z)-3-amino-3-(4-methylphenyl)prop-2-enoate
CID 12021527
ethyl 3-(4-methoxyphenyl)-3-phenylprop-2-enoate
CID 85223132
ethyl (Z)-3-(4-methoxyphenyl)-3-phenylprop-2-enoate
CID 10967969
[(E)-2-cyano-1-(4-methylphenyl)ethenyl] 4-methylbenzenesulfonate
CID 11483807
ethyl 3-hydroxy-3-(4-methylphenyl)prop-2-enoate
CID 71356233
ethyl (Z)-4-azido-3-(4-methoxyphenyl)but-2-enoate
CID 102183878
ethyl (E)-3-(2-methoxyphenyl)-3-(4-methoxyphenyl)prop-2-enoate
CID 102309809
1-[(E)-1-ethoxyprop-1-enyl]-4-methoxybenzene
CID 12531526
ethyl (E)-3-(4-methylphenyl)sulfonylprop-2-enoate
CID 11230550
(4-methylphenyl)sulfonyl (2R)-2-aminobutanoate
CID 175192031

Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-3-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonyloxyprop-2-enoate?
The IUPAC name of ethyl (Z)-3-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonyloxyprop-2-enoate (CID 122220839) is ethyl (Z)-3-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonyloxyprop-2-enoate.
What is the SMILES notation for ethyl (Z)-3-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonyloxyprop-2-enoate?
The canonical SMILES for ethyl (Z)-3-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonyloxyprop-2-enoate is CCOC(=O)/C=C(\OS(=O)(=O)c1ccc(C)cc1)c1ccc(OC)cc1.
What is the InChIKey of ethyl (Z)-3-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonyloxyprop-2-enoate?
The InChIKey is RZRRZJXFGTYOCO-AQTBWJFISA-N. The full InChI is InChI=1S/C19H20O6S/c1-4-24-19(20)13-18(15-7-9-16(23-3)10-8-15)25-26(21,22)17-11-5-14(2)6-12-17/h5-13H,4H2,1-3H3/b18-13-.
What are the key properties of ethyl (Z)-3-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonyloxyprop-2-enoate?
ethyl (Z)-3-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonyloxyprop-2-enoate has a molecular weight of 376.43 g/mol, XLogP of 3.31, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-3-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonyloxyprop-2-enoate is sourced from PubChem (CID 122220839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).