2,6-dimethoxy-4-[(E)-2-(4-methylphenyl)ethenyl]phenol

C17H18O3 — CID 101267278

IUPAC2,6-dimethoxy-4-[(E)-2-(4-methylphenyl)ethenyl]phenol
SMILESCOc1cc(/C=C/c2ccc(C)cc2)cc(OC)c1O
InChIInChI=1S/C17H18O3/c1-12-4-6-13(7-5-12)8-9-14-10-15(19-2)17(18)16(11-14)20-3/h4-11,18H,1-3H3/b9-8+
InChIKeyKVJRPTRSQCBZST-CMDGGOBGSA-N
MW270.33 g/mol
LogP3.89
Rot. Bonds4

About 2,6-dimethoxy-4-[(E)-2-(4-methylphenyl)ethenyl]phenol

2,6-dimethoxy-4-[(E)-2-(4-methylphenyl)ethenyl]phenol (PubChem CID 101267278) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2,6-dimethoxy-4-[(E)-2-(4-methylphenyl)ethenyl]phenol.

Molecular Properties

Compound Name2,6-dimethoxy-4-[(E)-2-(4-methylphenyl)ethenyl]phenol
PubChem CID101267278
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Name2,6-dimethoxy-4-[(E)-2-(4-methylphenyl)ethenyl]phenol
SMILESCOc1cc(/C=C/c2ccc(C)cc2)cc(OC)c1O
InChIInChI=1S/C17H18O3/c1-12-4-6-13(7-5-12)8-9-14-10-15(19-2)17(18)16(11-14)20-3/h4-11,18H,1-3H3/b9-8+
InChIKeyKVJRPTRSQCBZST-CMDGGOBGSA-N
XLogP3.89
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,6-dimethoxy-4-[(E)-2-(4-methylphenyl)ethenyl]phenol with MolForge

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

Launch Full Analysis

Related Compounds

4-[2-(4-hydroxy-3,5-dimethoxyphenyl)ethenyl]-2,6-dimethoxyphenol
CID 71361751
4-[2-(3,5-dimethoxy-4-methylphenyl)ethenyl]phenol
CID 152550506
1,3-dimethoxy-5-[2-(4-methylphenyl)ethenyl]benzene
CID 58240360
4-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-2,6-dimethoxyphenol
CID 72723773
2-methoxy-6-methyl-4-[(E)-prop-1-enyl]phenol
CID 45266886
(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-ene-1,1-diol
CID 155216963
3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-ene-1,1-diol
CID 57041223
5-[2-(4-chlorophenyl)ethenyl]-2-hydroxy-3-methoxybenzaldehyde
CID 155677733
5-[(E)-2-(4-chlorophenyl)ethenyl]-2-hydroxy-3-methoxybenzaldehyde
CID 139536308
1,2,3-trimethoxy-5-[4-[4-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]phenyl]benzene
CID 155816049
4-[(Z)-2-(4-hydroxyphenyl)ethenyl]-2-methoxyphenol
CID 10377070
ethane;1-methyl-4-[2-(4-methylphenyl)ethenyl]benzene
CID 90770914

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-4-[(E)-2-(4-methylphenyl)ethenyl]phenol?
The IUPAC name of 2,6-dimethoxy-4-[(E)-2-(4-methylphenyl)ethenyl]phenol (CID 101267278) is 2,6-dimethoxy-4-[(E)-2-(4-methylphenyl)ethenyl]phenol.
What is the SMILES notation for 2,6-dimethoxy-4-[(E)-2-(4-methylphenyl)ethenyl]phenol?
The canonical SMILES for 2,6-dimethoxy-4-[(E)-2-(4-methylphenyl)ethenyl]phenol is COc1cc(/C=C/c2ccc(C)cc2)cc(OC)c1O.
What is the InChIKey of 2,6-dimethoxy-4-[(E)-2-(4-methylphenyl)ethenyl]phenol?
The InChIKey is KVJRPTRSQCBZST-CMDGGOBGSA-N. The full InChI is InChI=1S/C17H18O3/c1-12-4-6-13(7-5-12)8-9-14-10-15(19-2)17(18)16(11-14)20-3/h4-11,18H,1-3H3/b9-8+.
What are the key properties of 2,6-dimethoxy-4-[(E)-2-(4-methylphenyl)ethenyl]phenol?
2,6-dimethoxy-4-[(E)-2-(4-methylphenyl)ethenyl]phenol has a molecular weight of 270.33 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-4-[(E)-2-(4-methylphenyl)ethenyl]phenol is sourced from PubChem (CID 101267278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).