4-[2-(3,5-dimethoxy-4-methylphenyl)ethenyl]phenol

C17H18O3 — CID 152550506

IUPAC4-[2-(3,5-dimethoxy-4-methylphenyl)ethenyl]phenol
SMILESCOc1cc(C=Cc2ccc(O)cc2)cc(OC)c1C
InChIInChI=1S/C17H18O3/c1-12-16(19-2)10-14(11-17(12)20-3)5-4-13-6-8-15(18)9-7-13/h4-11,18H,1-3H3
InChIKeyYNJQKTOKBCBXJM-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.89
Rot. Bonds4

About 4-[2-(3,5-dimethoxy-4-methylphenyl)ethenyl]phenol

4-[2-(3,5-dimethoxy-4-methylphenyl)ethenyl]phenol (PubChem CID 152550506) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is 4-[2-(3,5-dimethoxy-4-methylphenyl)ethenyl]phenol.

Molecular Properties

Compound Name4-[2-(3,5-dimethoxy-4-methylphenyl)ethenyl]phenol
PubChem CID152550506
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Name4-[2-(3,5-dimethoxy-4-methylphenyl)ethenyl]phenol
SMILESCOc1cc(C=Cc2ccc(O)cc2)cc(OC)c1C
InChIInChI=1S/C17H18O3/c1-12-16(19-2)10-14(11-17(12)20-3)5-4-13-6-8-15(18)9-7-13/h4-11,18H,1-3H3
InChIKeyYNJQKTOKBCBXJM-UHFFFAOYSA-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'}

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Related Compounds

4-[(Z)-2-(4-hydroxyphenyl)ethenyl]-2-methoxyphenol
CID 10377070
2,6-dimethoxy-4-[(E)-2-(4-methylphenyl)ethenyl]phenol
CID 101267278
4-[2-[4-[1-(4-hydroxyphenyl)ethyl]-3,5-dimethoxyphenyl]ethenyl]phenol
CID 123762733
4-[(E)-2-[4-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-methoxy-2-methylphenyl]ethenyl]phenol
CID 101050457
4-[2-[3,5-dimethoxy-4-(3-methylbut-2-enyl)phenyl]ethenyl]phenol
CID 78200712
4-[(E)-2-(3-methoxy-5-methylphenyl)ethenyl]phenol
CID 58288557
5-[(Z)-2-(3-methoxy-4,5-dimethylphenyl)ethenyl]-2-methylphenol
CID 59149568
3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-methylphenol
CID 21024515
4-[[4-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]iminomethyl]phenol
CID 136693653
4-[[4-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]iminomethyl]phenol
CID 174598754
4-[2-(4-hydroxy-3,5-dimethoxyphenyl)ethenyl]-2,6-dimethoxyphenol
CID 71361751
5-[2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol;methane
CID 74438837

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3,5-dimethoxy-4-methylphenyl)ethenyl]phenol?
The IUPAC name of 4-[2-(3,5-dimethoxy-4-methylphenyl)ethenyl]phenol (CID 152550506) is 4-[2-(3,5-dimethoxy-4-methylphenyl)ethenyl]phenol.
What is the SMILES notation for 4-[2-(3,5-dimethoxy-4-methylphenyl)ethenyl]phenol?
The canonical SMILES for 4-[2-(3,5-dimethoxy-4-methylphenyl)ethenyl]phenol is COc1cc(C=Cc2ccc(O)cc2)cc(OC)c1C.
What is the InChIKey of 4-[2-(3,5-dimethoxy-4-methylphenyl)ethenyl]phenol?
The InChIKey is YNJQKTOKBCBXJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O3/c1-12-16(19-2)10-14(11-17(12)20-3)5-4-13-6-8-15(18)9-7-13/h4-11,18H,1-3H3.
What are the key properties of 4-[2-(3,5-dimethoxy-4-methylphenyl)ethenyl]phenol?
4-[2-(3,5-dimethoxy-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 4-[2-(3,5-dimethoxy-4-methylphenyl)ethenyl]phenol is sourced from PubChem (CID 152550506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).