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

C18H20O2 — CID 19890115

IUPAC4-[(E)-2-(4-hydroxy-2,3-dimethylphenyl)ethenyl]-2,3-dimethylphenol
SMILESCc1c(O)ccc(/C=C/c2ccc(O)c(C)c2C)c1C
InChIInChI=1S/C18H20O2/c1-11-13(3)17(19)9-7-15(11)5-6-16-8-10-18(20)14(4)12(16)2/h5-10,19-20H,1-4H3/b6-5+
InChIKeyHUSOHUPCWASDOK-AATRIKPKSA-N
MW268.36 g/mol
LogP4.50
Rot. Bonds2

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

4-[(E)-2-(4-hydroxy-2,3-dimethylphenyl)ethenyl]-2,3-dimethylphenol (PubChem CID 19890115) has the molecular formula C18H20O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 4-[(E)-2-(4-hydroxy-2,3-dimethylphenyl)ethenyl]-2,3-dimethylphenol.

Molecular Properties

Compound Name4-[(E)-2-(4-hydroxy-2,3-dimethylphenyl)ethenyl]-2,3-dimethylphenol
PubChem CID19890115
Molecular FormulaC18H20O2
Molecular Weight268.36 g/mol
Exact Mass268.15
IUPAC Name4-[(E)-2-(4-hydroxy-2,3-dimethylphenyl)ethenyl]-2,3-dimethylphenol
SMILESCc1c(O)ccc(/C=C/c2ccc(O)c(C)c2C)c1C
InChIInChI=1S/C18H20O2/c1-11-13(3)17(19)9-7-15(11)5-6-16-8-10-18(20)14(4)12(16)2/h5-10,19-20H,1-4H3/b6-5+
InChIKeyHUSOHUPCWASDOK-AATRIKPKSA-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-[(E)-2-(4-hydroxy-2,3-dimethylphenyl)ethenyl]-2,3-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-[(E)-2-(4-hydroxy-2,3-dimethylphenyl)ethenyl]-2,3-dimethylphenol?
The IUPAC name of 4-[(E)-2-(4-hydroxy-2,3-dimethylphenyl)ethenyl]-2,3-dimethylphenol (CID 19890115) is 4-[(E)-2-(4-hydroxy-2,3-dimethylphenyl)ethenyl]-2,3-dimethylphenol.
What is the SMILES notation for 4-[(E)-2-(4-hydroxy-2,3-dimethylphenyl)ethenyl]-2,3-dimethylphenol?
The canonical SMILES for 4-[(E)-2-(4-hydroxy-2,3-dimethylphenyl)ethenyl]-2,3-dimethylphenol is Cc1c(O)ccc(/C=C/c2ccc(O)c(C)c2C)c1C.
What is the InChIKey of 4-[(E)-2-(4-hydroxy-2,3-dimethylphenyl)ethenyl]-2,3-dimethylphenol?
The InChIKey is HUSOHUPCWASDOK-AATRIKPKSA-N. The full InChI is InChI=1S/C18H20O2/c1-11-13(3)17(19)9-7-15(11)5-6-16-8-10-18(20)14(4)12(16)2/h5-10,19-20H,1-4H3/b6-5+.
What are the key properties of 4-[(E)-2-(4-hydroxy-2,3-dimethylphenyl)ethenyl]-2,3-dimethylphenol?
4-[(E)-2-(4-hydroxy-2,3-dimethylphenyl)ethenyl]-2,3-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-[(E)-2-(4-hydroxy-2,3-dimethylphenyl)ethenyl]-2,3-dimethylphenol is sourced from PubChem (CID 19890115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).