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

C17H18O — CID 140572424

IUPAC2-[(E)-2-(2,4,6-trimethylphenyl)ethenyl]phenol
SMILESCc1cc(C)c(/C=C/c2ccccc2O)c(C)c1
InChIInChI=1S/C17H18O/c1-12-10-13(2)16(14(3)11-12)9-8-15-6-4-5-7-17(15)18/h4-11,18H,1-3H3/b9-8+
InChIKeyVIGSIXAVZUNTHM-CMDGGOBGSA-N
MW238.33 g/mol
LogP4.49
Rot. Bonds2

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

2-[(E)-2-(2,4,6-trimethylphenyl)ethenyl]phenol (PubChem CID 140572424) has the molecular formula C17H18O and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-[(E)-2-(2,4,6-trimethylphenyl)ethenyl]phenol.

Molecular Properties

Compound Name2-[(E)-2-(2,4,6-trimethylphenyl)ethenyl]phenol
PubChem CID140572424
Molecular FormulaC17H18O
Molecular Weight238.33 g/mol
Exact Mass238.14
IUPAC Name2-[(E)-2-(2,4,6-trimethylphenyl)ethenyl]phenol
SMILESCc1cc(C)c(/C=C/c2ccccc2O)c(C)c1
InChIInChI=1S/C17H18O/c1-12-10-13(2)16(14(3)11-12)9-8-15-6-4-5-7-17(15)18/h4-11,18H,1-3H3/b9-8+
InChIKeyVIGSIXAVZUNTHM-CMDGGOBGSA-N
XLogP4.49
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-2-[(E)-2-(2-methylphenyl)ethenyl]phenol
CID 68737342
1-methyl-4-[(Z)-2-(2,4,6-trimethylphenyl)ethenyl]quinolin-1-ium iodide
CID 54608217
2-[(E)-2-(4,6-dimethyl-1,3,5-triazin-2-yl)ethenyl]phenol
CID 136817331
1,3,5-trimethyl-2-prop-1-enylbenzene
CID 54520603
2-[2-(3-methyl-1,2-oxazol-5-yl)ethenyl]phenol
CID 840164
2-[2-(3,5-dimethylphenyl)ethenyl]-3-methylphenol
CID 141130983
2-[(3,5-dimethylphenyl)iminomethyl]phenol
CID 4108135
2-[(E)-2-(1-methylpyrrol-2-yl)ethenyl]phenol
CID 23028027
4-[2-(2-hydroxyphenyl)ethenyl]benzene-1,2-diol
CID 54133293
2-[(E)-2-(3-methylbenzo[g]chromen-1-ium-2-yl)ethenyl]phenol perchlorate
CID 134912115
4-[(E)-2-(2,4,6-trimethylphenyl)ethenyl]pyridine
CID 13257451
2-penta-1,3-dienylphenol
CID 141162259

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(2,4,6-trimethylphenyl)ethenyl]phenol?
The IUPAC name of 2-[(E)-2-(2,4,6-trimethylphenyl)ethenyl]phenol (CID 140572424) is 2-[(E)-2-(2,4,6-trimethylphenyl)ethenyl]phenol.
What is the SMILES notation for 2-[(E)-2-(2,4,6-trimethylphenyl)ethenyl]phenol?
The canonical SMILES for 2-[(E)-2-(2,4,6-trimethylphenyl)ethenyl]phenol is Cc1cc(C)c(/C=C/c2ccccc2O)c(C)c1.
What is the InChIKey of 2-[(E)-2-(2,4,6-trimethylphenyl)ethenyl]phenol?
The InChIKey is VIGSIXAVZUNTHM-CMDGGOBGSA-N. The full InChI is InChI=1S/C17H18O/c1-12-10-13(2)16(14(3)11-12)9-8-15-6-4-5-7-17(15)18/h4-11,18H,1-3H3/b9-8+.
What are the key properties of 2-[(E)-2-(2,4,6-trimethylphenyl)ethenyl]phenol?
2-[(E)-2-(2,4,6-trimethylphenyl)ethenyl]phenol has a molecular weight of 238.33 g/mol, XLogP of 4.49, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(2,4,6-trimethylphenyl)ethenyl]phenol is sourced from PubChem (CID 140572424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).