4-[(E)-2-(4-butoxyphenyl)ethenyl]-2,6-dimethylphenol

C20H24O2 — CID 14771909

IUPAC4-[(E)-2-(4-butoxyphenyl)ethenyl]-2,6-dimethylphenol
SMILESCCCCOc1ccc(/C=C/c2cc(C)c(O)c(C)c2)cc1
InChIInChI=1S/C20H24O2/c1-4-5-12-22-19-10-8-17(9-11-19)6-7-18-13-15(2)20(21)16(3)14-18/h6-11,13-14,21H,4-5,12H2,1-3H3/b7-6+
InChIKeyNZILBJNOQBQQIE-VOTSOKGWSA-N
MW296.41 g/mol
LogP5.36
Rot. Bonds6

About 4-[(E)-2-(4-butoxyphenyl)ethenyl]-2,6-dimethylphenol

4-[(E)-2-(4-butoxyphenyl)ethenyl]-2,6-dimethylphenol (PubChem CID 14771909) has the molecular formula C20H24O2 and a molecular weight of 296.41 g/mol. Its IUPAC name is 4-[(E)-2-(4-butoxyphenyl)ethenyl]-2,6-dimethylphenol.

Molecular Properties

Compound Name4-[(E)-2-(4-butoxyphenyl)ethenyl]-2,6-dimethylphenol
PubChem CID14771909
Molecular FormulaC20H24O2
Molecular Weight296.41 g/mol
Exact Mass296.18
IUPAC Name4-[(E)-2-(4-butoxyphenyl)ethenyl]-2,6-dimethylphenol
SMILESCCCCOc1ccc(/C=C/c2cc(C)c(O)c(C)c2)cc1
InChIInChI=1S/C20H24O2/c1-4-5-12-22-19-10-8-17(9-11-19)6-7-18-13-15(2)20(21)16(3)14-18/h6-11,13-14,21H,4-5,12H2,1-3H3/b7-6+
InChIKeyNZILBJNOQBQQIE-VOTSOKGWSA-N
XLogP5.36
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.41
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-(4-butoxyphenyl)ethenyl]-2,6-dimethylphenol?
The IUPAC name of 4-[(E)-2-(4-butoxyphenyl)ethenyl]-2,6-dimethylphenol (CID 14771909) is 4-[(E)-2-(4-butoxyphenyl)ethenyl]-2,6-dimethylphenol.
What is the SMILES notation for 4-[(E)-2-(4-butoxyphenyl)ethenyl]-2,6-dimethylphenol?
The canonical SMILES for 4-[(E)-2-(4-butoxyphenyl)ethenyl]-2,6-dimethylphenol is CCCCOc1ccc(/C=C/c2cc(C)c(O)c(C)c2)cc1.
What is the InChIKey of 4-[(E)-2-(4-butoxyphenyl)ethenyl]-2,6-dimethylphenol?
The InChIKey is NZILBJNOQBQQIE-VOTSOKGWSA-N. The full InChI is InChI=1S/C20H24O2/c1-4-5-12-22-19-10-8-17(9-11-19)6-7-18-13-15(2)20(21)16(3)14-18/h6-11,13-14,21H,4-5,12H2,1-3H3/b7-6+.
What are the key properties of 4-[(E)-2-(4-butoxyphenyl)ethenyl]-2,6-dimethylphenol?
4-[(E)-2-(4-butoxyphenyl)ethenyl]-2,6-dimethylphenol has a molecular weight of 296.41 g/mol, XLogP of 5.36, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(4-butoxyphenyl)ethenyl]-2,6-dimethylphenol is sourced from PubChem (CID 14771909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).