ethyl (E)-2-methyl-4-(2,3,5,6-tetramethoxyphenyl)but-2-enoate

C17H24O6 — CID 10567984

IUPACethyl (E)-2-methyl-4-(2,3,5,6-tetramethoxyphenyl)but-2-enoate
SMILESCCOC(=O)/C(C)=C/Cc1c(OC)c(OC)cc(OC)c1OC
InChIInChI=1S/C17H24O6/c1-7-23-17(18)11(2)8-9-12-15(21-5)13(19-3)10-14(20-4)16(12)22-6/h8,10H,7,9H2,1-6H3/b11-8+
InChIKeyPQZFQANDJMPSCA-DHZHZOJOSA-N
MW324.37 g/mol
LogP2.77
Rot. Bonds8

About ethyl (E)-2-methyl-4-(2,3,5,6-tetramethoxyphenyl)but-2-enoate

ethyl (E)-2-methyl-4-(2,3,5,6-tetramethoxyphenyl)but-2-enoate (PubChem CID 10567984) has the molecular formula C17H24O6 and a molecular weight of 324.37 g/mol. Its IUPAC name is ethyl (E)-2-methyl-4-(2,3,5,6-tetramethoxyphenyl)but-2-enoate.

Molecular Properties

Compound Nameethyl (E)-2-methyl-4-(2,3,5,6-tetramethoxyphenyl)but-2-enoate
PubChem CID10567984
Molecular FormulaC17H24O6
Molecular Weight324.37 g/mol
Exact Mass324.16
IUPAC Nameethyl (E)-2-methyl-4-(2,3,5,6-tetramethoxyphenyl)but-2-enoate
SMILESCCOC(=O)/C(C)=C/Cc1c(OC)c(OC)cc(OC)c1OC
InChIInChI=1S/C17H24O6/c1-7-23-17(18)11(2)8-9-12-15(21-5)13(19-3)10-14(20-4)16(12)22-6/h8,10H,7,9H2,1-6H3/b11-8+
InChIKeyPQZFQANDJMPSCA-DHZHZOJOSA-N
XLogP2.77
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.37
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethyl (E)-4-(2,6-dimethoxy-4-propylphenyl)-2-methylbut-2-enoate
CID 67666524
(E)-2-methyl-4-(2,3,5,6-tetramethoxyphenyl)but-2-en-1-ol
CID 10493154
ethyl 3-(4-hydroxy-3,5-dimethoxyphenyl)-2-methylprop-2-enoate
CID 67318536
diethyl 2-[(3,4-dimethoxy-5-prop-2-enylphenyl)methylidene]propanedioate
CID 19937041
ethyl 2-(6-chloro-2-ethyl-3,4-dimethoxyphenyl)-2-oxoacetate
CID 117484389
diethyl 2-[2-oxo-2-(3,4,5-trimethoxyphenyl)ethylidene]propanedioate
CID 102337359
ethyl (E)-2-methylpent-2-enoate
CID 6436311
diethyl (2Z)-2-[(3,4,5-trimethoxyphenyl)methylidene]butanedioate
CID 177384775
ethyl (E)-3-(2,5-dimethoxyphenyl)-2-methylprop-2-enoate
CID 10955965
ethyl 3-(3-amino-4-hydroxy-5-methoxyphenyl)-2-methylprop-2-enoate
CID 70541669
ethyl 2-(5-fluoro-2,3-dimethoxyphenyl)-2-oxoacetate
CID 117393511
ethyl (E)-4-bromo-2-methylbut-2-enoate;methane
CID 158230787

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-2-methyl-4-(2,3,5,6-tetramethoxyphenyl)but-2-enoate?
The IUPAC name of ethyl (E)-2-methyl-4-(2,3,5,6-tetramethoxyphenyl)but-2-enoate (CID 10567984) is ethyl (E)-2-methyl-4-(2,3,5,6-tetramethoxyphenyl)but-2-enoate.
What is the SMILES notation for ethyl (E)-2-methyl-4-(2,3,5,6-tetramethoxyphenyl)but-2-enoate?
The canonical SMILES for ethyl (E)-2-methyl-4-(2,3,5,6-tetramethoxyphenyl)but-2-enoate is CCOC(=O)/C(C)=C/Cc1c(OC)c(OC)cc(OC)c1OC.
What is the InChIKey of ethyl (E)-2-methyl-4-(2,3,5,6-tetramethoxyphenyl)but-2-enoate?
The InChIKey is PQZFQANDJMPSCA-DHZHZOJOSA-N. The full InChI is InChI=1S/C17H24O6/c1-7-23-17(18)11(2)8-9-12-15(21-5)13(19-3)10-14(20-4)16(12)22-6/h8,10H,7,9H2,1-6H3/b11-8+.
What are the key properties of ethyl (E)-2-methyl-4-(2,3,5,6-tetramethoxyphenyl)but-2-enoate?
ethyl (E)-2-methyl-4-(2,3,5,6-tetramethoxyphenyl)but-2-enoate has a molecular weight of 324.37 g/mol, XLogP of 2.77, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-2-methyl-4-(2,3,5,6-tetramethoxyphenyl)but-2-enoate is sourced from PubChem (CID 10567984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).