4-[(1E)-3-[(E)-2-(4-hydroxyphenyl)ethenyl]-3,7-dimethylocta-1,6-dienyl]phenol

C24H28O2 — CID 46838282

IUPAC4-[(1E)-3-[(E)-2-(4-hydroxyphenyl)ethenyl]-3,7-dimethylocta-1,6-dienyl]phenol
SMILESCC(C)=CCCC(C)(/C=C/c1ccc(O)cc1)/C=C/c1ccc(O)cc1
InChIInChI=1S/C24H28O2/c1-19(2)5-4-16-24(3,17-14-20-6-10-22(25)11-7-20)18-15-21-8-12-23(26)13-9-21/h5-15,17-18,25-26H,4,16H2,1-3H3/b17-14+,18-15+
InChIKeyZBPNXPAFSOONFR-CJQREAPYSA-N
MW348.49 g/mol
LogP6.58
Rot. Bonds7

About 4-[(1E)-3-[(E)-2-(4-hydroxyphenyl)ethenyl]-3,7-dimethylocta-1,6-dienyl]phenol

4-[(1E)-3-[(E)-2-(4-hydroxyphenyl)ethenyl]-3,7-dimethylocta-1,6-dienyl]phenol (PubChem CID 46838282) has the molecular formula C24H28O2 and a molecular weight of 348.49 g/mol. Its IUPAC name is 4-[(1E)-3-[(E)-2-(4-hydroxyphenyl)ethenyl]-3,7-dimethylocta-1,6-dienyl]phenol.

Molecular Properties

Compound Name4-[(1E)-3-[(E)-2-(4-hydroxyphenyl)ethenyl]-3,7-dimethylocta-1,6-dienyl]phenol
PubChem CID46838282
Molecular FormulaC24H28O2
Molecular Weight348.49 g/mol
Exact Mass348.21
IUPAC Name4-[(1E)-3-[(E)-2-(4-hydroxyphenyl)ethenyl]-3,7-dimethylocta-1,6-dienyl]phenol
SMILESCC(C)=CCCC(C)(/C=C/c1ccc(O)cc1)/C=C/c1ccc(O)cc1
InChIInChI=1S/C24H28O2/c1-19(2)5-4-16-24(3,17-14-20-6-10-22(25)11-7-20)18-15-21-8-12-23(26)13-9-21/h5-15,17-18,25-26H,4,16H2,1-3H3/b17-14+,18-15+
InChIKeyZBPNXPAFSOONFR-CJQREAPYSA-N
XLogP6.58
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.49
LogP ≤ 56.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(1E)-3-[(E)-2-(4-hydroxyphenyl)ethenyl]-3,7-dimethylocta-1,6-dienyl]phenol?
The IUPAC name of 4-[(1E)-3-[(E)-2-(4-hydroxyphenyl)ethenyl]-3,7-dimethylocta-1,6-dienyl]phenol (CID 46838282) is 4-[(1E)-3-[(E)-2-(4-hydroxyphenyl)ethenyl]-3,7-dimethylocta-1,6-dienyl]phenol.
What is the SMILES notation for 4-[(1E)-3-[(E)-2-(4-hydroxyphenyl)ethenyl]-3,7-dimethylocta-1,6-dienyl]phenol?
The canonical SMILES for 4-[(1E)-3-[(E)-2-(4-hydroxyphenyl)ethenyl]-3,7-dimethylocta-1,6-dienyl]phenol is CC(C)=CCCC(C)(/C=C/c1ccc(O)cc1)/C=C/c1ccc(O)cc1.
What is the InChIKey of 4-[(1E)-3-[(E)-2-(4-hydroxyphenyl)ethenyl]-3,7-dimethylocta-1,6-dienyl]phenol?
The InChIKey is ZBPNXPAFSOONFR-CJQREAPYSA-N. The full InChI is InChI=1S/C24H28O2/c1-19(2)5-4-16-24(3,17-14-20-6-10-22(25)11-7-20)18-15-21-8-12-23(26)13-9-21/h5-15,17-18,25-26H,4,16H2,1-3H3/b17-14+,18-15+.
What are the key properties of 4-[(1E)-3-[(E)-2-(4-hydroxyphenyl)ethenyl]-3,7-dimethylocta-1,6-dienyl]phenol?
4-[(1E)-3-[(E)-2-(4-hydroxyphenyl)ethenyl]-3,7-dimethylocta-1,6-dienyl]phenol has a molecular weight of 348.49 g/mol, XLogP of 6.58, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1E)-3-[(E)-2-(4-hydroxyphenyl)ethenyl]-3,7-dimethylocta-1,6-dienyl]phenol is sourced from PubChem (CID 46838282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).