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

C17H18O2 — CID 14771903

IUPAC4-[(E)-2-(4-methoxyphenyl)ethenyl]-2,6-dimethylphenol
SMILESCOc1ccc(/C=C/c2cc(C)c(O)c(C)c2)cc1
InChIInChI=1S/C17H18O2/c1-12-10-15(11-13(2)17(12)18)5-4-14-6-8-16(19-3)9-7-14/h4-11,18H,1-3H3/b5-4+
InChIKeyHVNXFBRCWJSKQC-SNAWJCMRSA-N
MW254.33 g/mol
LogP4.19
Rot. Bonds3

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

4-[(E)-2-(4-methoxyphenyl)ethenyl]-2,6-dimethylphenol (PubChem CID 14771903) has the molecular formula C17H18O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 4-[(E)-2-(4-methoxyphenyl)ethenyl]-2,6-dimethylphenol.

Molecular Properties

Compound Name4-[(E)-2-(4-methoxyphenyl)ethenyl]-2,6-dimethylphenol
PubChem CID14771903
Molecular FormulaC17H18O2
Molecular Weight254.33 g/mol
Exact Mass254.13
IUPAC Name4-[(E)-2-(4-methoxyphenyl)ethenyl]-2,6-dimethylphenol
SMILESCOc1ccc(/C=C/c2cc(C)c(O)c(C)c2)cc1
InChIInChI=1S/C17H18O2/c1-12-10-15(11-13(2)17(12)18)5-4-14-6-8-16(19-3)9-7-14/h4-11,18H,1-3H3/b5-4+
InChIKeyHVNXFBRCWJSKQC-SNAWJCMRSA-N
XLogP4.19
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(4-methoxyphenyl)ethenyl]-2,6-dimethylphenol?
The IUPAC name of 4-[(E)-2-(4-methoxyphenyl)ethenyl]-2,6-dimethylphenol (CID 14771903) is 4-[(E)-2-(4-methoxyphenyl)ethenyl]-2,6-dimethylphenol.
What is the SMILES notation for 4-[(E)-2-(4-methoxyphenyl)ethenyl]-2,6-dimethylphenol?
The canonical SMILES for 4-[(E)-2-(4-methoxyphenyl)ethenyl]-2,6-dimethylphenol is COc1ccc(/C=C/c2cc(C)c(O)c(C)c2)cc1.
What is the InChIKey of 4-[(E)-2-(4-methoxyphenyl)ethenyl]-2,6-dimethylphenol?
The InChIKey is HVNXFBRCWJSKQC-SNAWJCMRSA-N. The full InChI is InChI=1S/C17H18O2/c1-12-10-15(11-13(2)17(12)18)5-4-14-6-8-16(19-3)9-7-14/h4-11,18H,1-3H3/b5-4+.
What are the key properties of 4-[(E)-2-(4-methoxyphenyl)ethenyl]-2,6-dimethylphenol?
4-[(E)-2-(4-methoxyphenyl)ethenyl]-2,6-dimethylphenol has a molecular weight of 254.33 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(4-methoxyphenyl)ethenyl]-2,6-dimethylphenol is sourced from PubChem (CID 14771903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).