2-ethoxy-4-[2-[3-methoxy-5-(3-methylbut-2-enoxy)phenyl]ethenyl]phenol

C22H26O4 — CID 166173179

IUPAC2-ethoxy-4-[2-[3-methoxy-5-(3-methylbut-2-enoxy)phenyl]ethenyl]phenol
SMILESCCOc1cc(C=Cc2cc(OC)cc(OCC=C(C)C)c2)ccc1O
InChIInChI=1S/C22H26O4/c1-5-25-22-14-17(8-9-21(22)23)6-7-18-12-19(24-4)15-20(13-18)26-11-10-16(2)3/h6-10,12-15,23H,5,11H2,1-4H3
InChIKeyPJPJVAOUYDJMAG-UHFFFAOYSA-N
MW354.45 g/mol
LogP5.31
Rot. Bonds8

About 2-ethoxy-4-[2-[3-methoxy-5-(3-methylbut-2-enoxy)phenyl]ethenyl]phenol

2-ethoxy-4-[2-[3-methoxy-5-(3-methylbut-2-enoxy)phenyl]ethenyl]phenol (PubChem CID 166173179) has the molecular formula C22H26O4 and a molecular weight of 354.45 g/mol. Its IUPAC name is 2-ethoxy-4-[2-[3-methoxy-5-(3-methylbut-2-enoxy)phenyl]ethenyl]phenol.

Molecular Properties

Compound Name2-ethoxy-4-[2-[3-methoxy-5-(3-methylbut-2-enoxy)phenyl]ethenyl]phenol
PubChem CID166173179
Molecular FormulaC22H26O4
Molecular Weight354.45 g/mol
Exact Mass354.18
IUPAC Name2-ethoxy-4-[2-[3-methoxy-5-(3-methylbut-2-enoxy)phenyl]ethenyl]phenol
SMILESCCOc1cc(C=Cc2cc(OC)cc(OCC=C(C)C)c2)ccc1O
InChIInChI=1S/C22H26O4/c1-5-25-22-14-17(8-9-21(22)23)6-7-18-12-19(24-4)15-20(13-18)26-11-10-16(2)3/h6-10,12-15,23H,5,11H2,1-4H3
InChIKeyPJPJVAOUYDJMAG-UHFFFAOYSA-N
XLogP5.31
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.45
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-[2-[3-methoxy-5-(3-methylbut-2-enoxy)phenyl]ethenyl]phenol?
The IUPAC name of 2-ethoxy-4-[2-[3-methoxy-5-(3-methylbut-2-enoxy)phenyl]ethenyl]phenol (CID 166173179) is 2-ethoxy-4-[2-[3-methoxy-5-(3-methylbut-2-enoxy)phenyl]ethenyl]phenol.
What is the SMILES notation for 2-ethoxy-4-[2-[3-methoxy-5-(3-methylbut-2-enoxy)phenyl]ethenyl]phenol?
The canonical SMILES for 2-ethoxy-4-[2-[3-methoxy-5-(3-methylbut-2-enoxy)phenyl]ethenyl]phenol is CCOc1cc(C=Cc2cc(OC)cc(OCC=C(C)C)c2)ccc1O.
What is the InChIKey of 2-ethoxy-4-[2-[3-methoxy-5-(3-methylbut-2-enoxy)phenyl]ethenyl]phenol?
The InChIKey is PJPJVAOUYDJMAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26O4/c1-5-25-22-14-17(8-9-21(22)23)6-7-18-12-19(24-4)15-20(13-18)26-11-10-16(2)3/h6-10,12-15,23H,5,11H2,1-4H3.
What are the key properties of 2-ethoxy-4-[2-[3-methoxy-5-(3-methylbut-2-enoxy)phenyl]ethenyl]phenol?
2-ethoxy-4-[2-[3-methoxy-5-(3-methylbut-2-enoxy)phenyl]ethenyl]phenol has a molecular weight of 354.45 g/mol, XLogP of 5.31, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-[2-[3-methoxy-5-(3-methylbut-2-enoxy)phenyl]ethenyl]phenol is sourced from PubChem (CID 166173179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).