4-[2-(4-hydroxy-3,5-dimethylphenyl)prop-1-enyl]-2,6-dimethylphenol

C19H22O2 — CID 54516213

IUPAC4-[2-(4-hydroxy-3,5-dimethylphenyl)prop-1-enyl]-2,6-dimethylphenol
SMILESCC(=Cc1cc(C)c(O)c(C)c1)c1cc(C)c(O)c(C)c1
InChIInChI=1S/C19H22O2/c1-11(17-9-14(4)19(21)15(5)10-17)6-16-7-12(2)18(20)13(3)8-16/h6-10,20-21H,1-5H3
InChIKeyYMPGSTUQJBNKJU-UHFFFAOYSA-N
MW282.38 g/mol
LogP4.89
Rot. Bonds2

About 4-[2-(4-hydroxy-3,5-dimethylphenyl)prop-1-enyl]-2,6-dimethylphenol

4-[2-(4-hydroxy-3,5-dimethylphenyl)prop-1-enyl]-2,6-dimethylphenol (PubChem CID 54516213) has the molecular formula C19H22O2 and a molecular weight of 282.38 g/mol. Its IUPAC name is 4-[2-(4-hydroxy-3,5-dimethylphenyl)prop-1-enyl]-2,6-dimethylphenol.

Molecular Properties

Compound Name4-[2-(4-hydroxy-3,5-dimethylphenyl)prop-1-enyl]-2,6-dimethylphenol
PubChem CID54516213
Molecular FormulaC19H22O2
Molecular Weight282.38 g/mol
Exact Mass282.16
IUPAC Name4-[2-(4-hydroxy-3,5-dimethylphenyl)prop-1-enyl]-2,6-dimethylphenol
SMILESCC(=Cc1cc(C)c(O)c(C)c1)c1cc(C)c(O)c(C)c1
InChIInChI=1S/C19H22O2/c1-11(17-9-14(4)19(21)15(5)10-17)6-16-7-12(2)18(20)13(3)8-16/h6-10,20-21H,1-5H3
InChIKeyYMPGSTUQJBNKJU-UHFFFAOYSA-N
XLogP4.89
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 54.89
H-Bond Donors ≤ 52
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-[2-(4-hydroxy-3,5-dimethylphenyl)prop-1-enyl]-2,6-dimethylphenol?
The IUPAC name of 4-[2-(4-hydroxy-3,5-dimethylphenyl)prop-1-enyl]-2,6-dimethylphenol (CID 54516213) is 4-[2-(4-hydroxy-3,5-dimethylphenyl)prop-1-enyl]-2,6-dimethylphenol.
What is the SMILES notation for 4-[2-(4-hydroxy-3,5-dimethylphenyl)prop-1-enyl]-2,6-dimethylphenol?
The canonical SMILES for 4-[2-(4-hydroxy-3,5-dimethylphenyl)prop-1-enyl]-2,6-dimethylphenol is CC(=Cc1cc(C)c(O)c(C)c1)c1cc(C)c(O)c(C)c1.
What is the InChIKey of 4-[2-(4-hydroxy-3,5-dimethylphenyl)prop-1-enyl]-2,6-dimethylphenol?
The InChIKey is YMPGSTUQJBNKJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O2/c1-11(17-9-14(4)19(21)15(5)10-17)6-16-7-12(2)18(20)13(3)8-16/h6-10,20-21H,1-5H3.
What are the key properties of 4-[2-(4-hydroxy-3,5-dimethylphenyl)prop-1-enyl]-2,6-dimethylphenol?
4-[2-(4-hydroxy-3,5-dimethylphenyl)prop-1-enyl]-2,6-dimethylphenol has a molecular weight of 282.38 g/mol, XLogP of 4.89, 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)prop-1-enyl]-2,6-dimethylphenol is sourced from PubChem (CID 54516213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).