ethyl (E)-4-(2,6-dimethoxy-4-propylphenyl)-2-methylbut-2-enoate

C18H26O4 — CID 67666524

IUPACethyl (E)-4-(2,6-dimethoxy-4-propylphenyl)-2-methylbut-2-enoate
SMILESCCCc1cc(OC)c(C/C=C(\C)C(=O)OCC)c(OC)c1
InChIInChI=1S/C18H26O4/c1-6-8-14-11-16(20-4)15(17(12-14)21-5)10-9-13(3)18(19)22-7-2/h9,11-12H,6-8,10H2,1-5H3/b13-9+
InChIKeyBDEKLYZLHHOEFG-UKTHLTGXSA-N
MW306.40 g/mol
LogP3.71
Rot. Bonds8

About ethyl (E)-4-(2,6-dimethoxy-4-propylphenyl)-2-methylbut-2-enoate

ethyl (E)-4-(2,6-dimethoxy-4-propylphenyl)-2-methylbut-2-enoate (PubChem CID 67666524) has the molecular formula C18H26O4 and a molecular weight of 306.40 g/mol. Its IUPAC name is ethyl (E)-4-(2,6-dimethoxy-4-propylphenyl)-2-methylbut-2-enoate.

Molecular Properties

Compound Nameethyl (E)-4-(2,6-dimethoxy-4-propylphenyl)-2-methylbut-2-enoate
PubChem CID67666524
Molecular FormulaC18H26O4
Molecular Weight306.40 g/mol
Exact Mass306.18
IUPAC Nameethyl (E)-4-(2,6-dimethoxy-4-propylphenyl)-2-methylbut-2-enoate
SMILESCCCc1cc(OC)c(C/C=C(\C)C(=O)OCC)c(OC)c1
InChIInChI=1S/C18H26O4/c1-6-8-14-11-16(20-4)15(17(12-14)21-5)10-9-13(3)18(19)22-7-2/h9,11-12H,6-8,10H2,1-5H3/b13-9+
InChIKeyBDEKLYZLHHOEFG-UKTHLTGXSA-N
XLogP3.71
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.40
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethyl (E)-4-(2,6-dimethoxy-4-propylphenyl)-2-methylbut-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-4-(2,6-dimethoxy-4-propylphenyl)-2-methylbut-2-enoate?
The IUPAC name of ethyl (E)-4-(2,6-dimethoxy-4-propylphenyl)-2-methylbut-2-enoate (CID 67666524) is ethyl (E)-4-(2,6-dimethoxy-4-propylphenyl)-2-methylbut-2-enoate.
What is the SMILES notation for ethyl (E)-4-(2,6-dimethoxy-4-propylphenyl)-2-methylbut-2-enoate?
The canonical SMILES for ethyl (E)-4-(2,6-dimethoxy-4-propylphenyl)-2-methylbut-2-enoate is CCCc1cc(OC)c(C/C=C(\C)C(=O)OCC)c(OC)c1.
What is the InChIKey of ethyl (E)-4-(2,6-dimethoxy-4-propylphenyl)-2-methylbut-2-enoate?
The InChIKey is BDEKLYZLHHOEFG-UKTHLTGXSA-N. The full InChI is InChI=1S/C18H26O4/c1-6-8-14-11-16(20-4)15(17(12-14)21-5)10-9-13(3)18(19)22-7-2/h9,11-12H,6-8,10H2,1-5H3/b13-9+.
What are the key properties of ethyl (E)-4-(2,6-dimethoxy-4-propylphenyl)-2-methylbut-2-enoate?
ethyl (E)-4-(2,6-dimethoxy-4-propylphenyl)-2-methylbut-2-enoate has a molecular weight of 306.40 g/mol, XLogP of 3.71, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-4-(2,6-dimethoxy-4-propylphenyl)-2-methylbut-2-enoate is sourced from PubChem (CID 67666524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).