2-[(E)-2-(4-ethylphenyl)ethenyl]-1,3,5-trimethylbenzene

C19H22 — CID 147588244

IUPAC2-[(E)-2-(4-ethylphenyl)ethenyl]-1,3,5-trimethylbenzene
SMILESCCc1ccc(/C=C/c2c(C)cc(C)cc2C)cc1
InChIInChI=1S/C19H22/c1-5-17-6-8-18(9-7-17)10-11-19-15(3)12-14(2)13-16(19)4/h6-13H,5H2,1-4H3/b11-10+
InChIKeyFXTTXBPBRVIOJG-ZHACJKMWSA-N
MW250.38 g/mol
LogP5.34
Rot. Bonds3

About 2-[(E)-2-(4-ethylphenyl)ethenyl]-1,3,5-trimethylbenzene

2-[(E)-2-(4-ethylphenyl)ethenyl]-1,3,5-trimethylbenzene (PubChem CID 147588244) has the molecular formula C19H22 and a molecular weight of 250.38 g/mol. Its IUPAC name is 2-[(E)-2-(4-ethylphenyl)ethenyl]-1,3,5-trimethylbenzene.

Molecular Properties

Compound Name2-[(E)-2-(4-ethylphenyl)ethenyl]-1,3,5-trimethylbenzene
PubChem CID147588244
Molecular FormulaC19H22
Molecular Weight250.38 g/mol
Exact Mass250.17
IUPAC Name2-[(E)-2-(4-ethylphenyl)ethenyl]-1,3,5-trimethylbenzene
SMILESCCc1ccc(/C=C/c2c(C)cc(C)cc2C)cc1
InChIInChI=1S/C19H22/c1-5-17-6-8-18(9-7-17)10-11-19-15(3)12-14(2)13-16(19)4/h6-13H,5H2,1-4H3/b11-10+
InChIKeyFXTTXBPBRVIOJG-ZHACJKMWSA-N
XLogP5.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.38
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(4-ethylphenyl)ethenyl]-1,3,5-trimethylbenzene?
The IUPAC name of 2-[(E)-2-(4-ethylphenyl)ethenyl]-1,3,5-trimethylbenzene (CID 147588244) is 2-[(E)-2-(4-ethylphenyl)ethenyl]-1,3,5-trimethylbenzene.
What is the SMILES notation for 2-[(E)-2-(4-ethylphenyl)ethenyl]-1,3,5-trimethylbenzene?
The canonical SMILES for 2-[(E)-2-(4-ethylphenyl)ethenyl]-1,3,5-trimethylbenzene is CCc1ccc(/C=C/c2c(C)cc(C)cc2C)cc1.
What is the InChIKey of 2-[(E)-2-(4-ethylphenyl)ethenyl]-1,3,5-trimethylbenzene?
The InChIKey is FXTTXBPBRVIOJG-ZHACJKMWSA-N. The full InChI is InChI=1S/C19H22/c1-5-17-6-8-18(9-7-17)10-11-19-15(3)12-14(2)13-16(19)4/h6-13H,5H2,1-4H3/b11-10+.
What are the key properties of 2-[(E)-2-(4-ethylphenyl)ethenyl]-1,3,5-trimethylbenzene?
2-[(E)-2-(4-ethylphenyl)ethenyl]-1,3,5-trimethylbenzene has a molecular weight of 250.38 g/mol, XLogP of 5.34, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(4-ethylphenyl)ethenyl]-1,3,5-trimethylbenzene is sourced from PubChem (CID 147588244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).