ethyl (E,2Z)-4-methyl-3-oxo-5-phenyl-2-[(2,4,6-trimethoxyphenyl)methylidene]pent-4-enoate

C24H26O6 — CID 16724616

IUPACethyl (E,2Z)-4-methyl-3-oxo-5-phenyl-2-[(2,4,6-trimethoxyphenyl)methylidene]pent-4-enoate
SMILESCCOC(=O)/C(=C\c1c(OC)cc(OC)cc1OC)C(=O)/C(C)=C/c1ccccc1
InChIInChI=1S/C24H26O6/c1-6-30-24(26)20(23(25)16(2)12-17-10-8-7-9-11-17)15-19-21(28-4)13-18(27-3)14-22(19)29-5/h7-15H,6H2,1-5H3/b16-12+,20-15-
InChIKeyUMSKVJRBRSITDP-PNGQTJDWSA-N
MW410.47 g/mol
LogP4.33
Rot. Bonds9

About ethyl (E,2Z)-4-methyl-3-oxo-5-phenyl-2-[(2,4,6-trimethoxyphenyl)methylidene]pent-4-enoate

ethyl (E,2Z)-4-methyl-3-oxo-5-phenyl-2-[(2,4,6-trimethoxyphenyl)methylidene]pent-4-enoate (PubChem CID 16724616) has the molecular formula C24H26O6 and a molecular weight of 410.47 g/mol. Its IUPAC name is ethyl (E,2Z)-4-methyl-3-oxo-5-phenyl-2-[(2,4,6-trimethoxyphenyl)methylidene]pent-4-enoate.

Molecular Properties

Compound Nameethyl (E,2Z)-4-methyl-3-oxo-5-phenyl-2-[(2,4,6-trimethoxyphenyl)methylidene]pent-4-enoate
PubChem CID16724616
Molecular FormulaC24H26O6
Molecular Weight410.47 g/mol
Exact Mass410.17
IUPAC Nameethyl (E,2Z)-4-methyl-3-oxo-5-phenyl-2-[(2,4,6-trimethoxyphenyl)methylidene]pent-4-enoate
SMILESCCOC(=O)/C(=C\c1c(OC)cc(OC)cc1OC)C(=O)/C(C)=C/c1ccccc1
InChIInChI=1S/C24H26O6/c1-6-30-24(26)20(23(25)16(2)12-17-10-8-7-9-11-17)15-19-21(28-4)13-18(27-3)14-22(19)29-5/h7-15H,6H2,1-5H3/b16-12+,20-15-
InChIKeyUMSKVJRBRSITDP-PNGQTJDWSA-N
XLogP4.33
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Related Compounds

ethyl (E)-3-(3-methoxyphenyl)-2-methylprop-2-enoate
CID 104503715
(Z)-2-ethoxycarbonyl-3-phenylprop-2-enoic acid
CID 643851
ethyl (2E)-2-[(4-methoxyphenyl)methylidene]-3-oxobutanoate
CID 6019202
ethyl (2Z)-2-[(4-methoxyphenyl)methylidene]-3-oxobutanoate
CID 5388605
diethyl (2E,3Z)-2-benzylidene-3-(1-hydroxyethylidene)butanedioate
CID 102207032
N-(2,4-dimethoxyphenyl)-2-methyl-3-phenylprop-2-enamide
CID 889648
ethyl 2-[(2,4,6-trimethoxyphenyl)methylidene]decanoate
CID 73040885
ethyl 2-benzylidene-4-methoxy-3-oxobutanoate
CID 54573207
ethyl (E)-2-benzoyl-3-phenylprop-2-enoate
CID 5378099
ethyl (Z)-2-(acetyloxymethyl)-3-phenylprop-2-enoate
CID 134918551
ethyl 3-(4-hydroxy-3,5-dimethoxyphenyl)-2-methylprop-2-enoate
CID 67318536
diethyl 2-[(2-bromo-5-methoxyphenyl)methylidene]propanedioate
CID 59837570

Frequently Asked Questions

What is the IUPAC name of ethyl (E,2Z)-4-methyl-3-oxo-5-phenyl-2-[(2,4,6-trimethoxyphenyl)methylidene]pent-4-enoate?
The IUPAC name of ethyl (E,2Z)-4-methyl-3-oxo-5-phenyl-2-[(2,4,6-trimethoxyphenyl)methylidene]pent-4-enoate (CID 16724616) is ethyl (E,2Z)-4-methyl-3-oxo-5-phenyl-2-[(2,4,6-trimethoxyphenyl)methylidene]pent-4-enoate.
What is the SMILES notation for ethyl (E,2Z)-4-methyl-3-oxo-5-phenyl-2-[(2,4,6-trimethoxyphenyl)methylidene]pent-4-enoate?
The canonical SMILES for ethyl (E,2Z)-4-methyl-3-oxo-5-phenyl-2-[(2,4,6-trimethoxyphenyl)methylidene]pent-4-enoate is CCOC(=O)/C(=C\c1c(OC)cc(OC)cc1OC)C(=O)/C(C)=C/c1ccccc1.
What is the InChIKey of ethyl (E,2Z)-4-methyl-3-oxo-5-phenyl-2-[(2,4,6-trimethoxyphenyl)methylidene]pent-4-enoate?
The InChIKey is UMSKVJRBRSITDP-PNGQTJDWSA-N. The full InChI is InChI=1S/C24H26O6/c1-6-30-24(26)20(23(25)16(2)12-17-10-8-7-9-11-17)15-19-21(28-4)13-18(27-3)14-22(19)29-5/h7-15H,6H2,1-5H3/b16-12+,20-15-.
What are the key properties of ethyl (E,2Z)-4-methyl-3-oxo-5-phenyl-2-[(2,4,6-trimethoxyphenyl)methylidene]pent-4-enoate?
ethyl (E,2Z)-4-methyl-3-oxo-5-phenyl-2-[(2,4,6-trimethoxyphenyl)methylidene]pent-4-enoate has a molecular weight of 410.47 g/mol, XLogP of 4.33, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E,2Z)-4-methyl-3-oxo-5-phenyl-2-[(2,4,6-trimethoxyphenyl)methylidene]pent-4-enoate is sourced from PubChem (CID 16724616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).