4-[(E)-2-[3,5-bis(prop-2-enoxy)phenyl]ethenyl]phenol

C20H20O3 — CID 174686350

IUPAC4-[(E)-2-[3,5-bis(prop-2-enoxy)phenyl]ethenyl]phenol
SMILESC=CCOc1cc(/C=C/c2ccc(O)cc2)cc(OCC=C)c1
InChIInChI=1S/C20H20O3/c1-3-11-22-19-13-17(14-20(15-19)23-12-4-2)6-5-16-7-9-18(21)10-8-16/h3-10,13-15,21H,1-2,11-12H2/b6-5+
InChIKeyIDTOUZBBJVBRSO-AATRIKPKSA-N
MW308.38 g/mol
LogP4.69
Rot. Bonds8

About 4-[(E)-2-[3,5-bis(prop-2-enoxy)phenyl]ethenyl]phenol

4-[(E)-2-[3,5-bis(prop-2-enoxy)phenyl]ethenyl]phenol (PubChem CID 174686350) has the molecular formula C20H20O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is 4-[(E)-2-[3,5-bis(prop-2-enoxy)phenyl]ethenyl]phenol.

Molecular Properties

Compound Name4-[(E)-2-[3,5-bis(prop-2-enoxy)phenyl]ethenyl]phenol
PubChem CID174686350
Molecular FormulaC20H20O3
Molecular Weight308.38 g/mol
Exact Mass308.14
IUPAC Name4-[(E)-2-[3,5-bis(prop-2-enoxy)phenyl]ethenyl]phenol
SMILESC=CCOc1cc(/C=C/c2ccc(O)cc2)cc(OCC=C)c1
InChIInChI=1S/C20H20O3/c1-3-11-22-19-13-17(14-20(15-19)23-12-4-2)6-5-16-7-9-18(21)10-8-16/h3-10,13-15,21H,1-2,11-12H2/b6-5+
InChIKeyIDTOUZBBJVBRSO-AATRIKPKSA-N
XLogP4.69
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 4-[(E)-2-[3,5-bis(prop-2-enoxy)phenyl]ethenyl]phenol?
The IUPAC name of 4-[(E)-2-[3,5-bis(prop-2-enoxy)phenyl]ethenyl]phenol (CID 174686350) is 4-[(E)-2-[3,5-bis(prop-2-enoxy)phenyl]ethenyl]phenol.
What is the SMILES notation for 4-[(E)-2-[3,5-bis(prop-2-enoxy)phenyl]ethenyl]phenol?
The canonical SMILES for 4-[(E)-2-[3,5-bis(prop-2-enoxy)phenyl]ethenyl]phenol is C=CCOc1cc(/C=C/c2ccc(O)cc2)cc(OCC=C)c1.
What is the InChIKey of 4-[(E)-2-[3,5-bis(prop-2-enoxy)phenyl]ethenyl]phenol?
The InChIKey is IDTOUZBBJVBRSO-AATRIKPKSA-N. The full InChI is InChI=1S/C20H20O3/c1-3-11-22-19-13-17(14-20(15-19)23-12-4-2)6-5-16-7-9-18(21)10-8-16/h3-10,13-15,21H,1-2,11-12H2/b6-5+.
What are the key properties of 4-[(E)-2-[3,5-bis(prop-2-enoxy)phenyl]ethenyl]phenol?
4-[(E)-2-[3,5-bis(prop-2-enoxy)phenyl]ethenyl]phenol has a molecular weight of 308.38 g/mol, XLogP of 4.69, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-[3,5-bis(prop-2-enoxy)phenyl]ethenyl]phenol is sourced from PubChem (CID 174686350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).