4-[2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]-2,6-dimethylphenol

C18H20O2 — CID 54449458

IUPAC4-[2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]-2,6-dimethylphenol
SMILESCc1cc(C=Cc2cc(C)c(O)c(C)c2)cc(C)c1O
InChIInChI=1S/C18H20O2/c1-11-7-15(8-12(2)17(11)19)5-6-16-9-13(3)18(20)14(4)10-16/h5-10,19-20H,1-4H3
InChIKeyWTWMJYNGYCJIGR-UHFFFAOYSA-N
MW268.36 g/mol
LogP4.50
Rot. Bonds2

About 4-[2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]-2,6-dimethylphenol

4-[2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]-2,6-dimethylphenol (PubChem CID 54449458) has the molecular formula C18H20O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 4-[2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]-2,6-dimethylphenol.

Molecular Properties

Compound Name4-[2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]-2,6-dimethylphenol
PubChem CID54449458
Molecular FormulaC18H20O2
Molecular Weight268.36 g/mol
Exact Mass268.15
IUPAC Name4-[2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]-2,6-dimethylphenol
SMILESCc1cc(C=Cc2cc(C)c(O)c(C)c2)cc(C)c1O
InChIInChI=1S/C18H20O2/c1-11-7-15(8-12(2)17(11)19)5-6-16-9-13(3)18(20)14(4)10-16/h5-10,19-20H,1-4H3
InChIKeyWTWMJYNGYCJIGR-UHFFFAOYSA-N
XLogP4.50
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]-2,6-dimethylphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]-2,6-dimethylphenol?
The IUPAC name of 4-[2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]-2,6-dimethylphenol (CID 54449458) is 4-[2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]-2,6-dimethylphenol.
What is the SMILES notation for 4-[2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]-2,6-dimethylphenol?
The canonical SMILES for 4-[2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]-2,6-dimethylphenol is Cc1cc(C=Cc2cc(C)c(O)c(C)c2)cc(C)c1O.
What is the InChIKey of 4-[2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]-2,6-dimethylphenol?
The InChIKey is WTWMJYNGYCJIGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O2/c1-11-7-15(8-12(2)17(11)19)5-6-16-9-13(3)18(20)14(4)10-16/h5-10,19-20H,1-4H3.
What are the key properties of 4-[2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]-2,6-dimethylphenol?
4-[2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]-2,6-dimethylphenol has a molecular weight of 268.36 g/mol, XLogP of 4.50, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]-2,6-dimethylphenol is sourced from PubChem (CID 54449458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).