1-ethyl-4-[(E)-2-(3-methylphenyl)ethenyl]benzene

C17H18 — CID 102133829

IUPAC1-ethyl-4-[(E)-2-(3-methylphenyl)ethenyl]benzene
SMILESCCc1ccc(/C=C/c2cccc(C)c2)cc1
InChIInChI=1S/C17H18/c1-3-15-7-9-16(10-8-15)11-12-17-6-4-5-14(2)13-17/h4-13H,3H2,1-2H3/b12-11+
InChIKeyIHWNSCQVSOGUCC-VAWYXSNFSA-N
MW222.33 g/mol
LogP4.73
Rot. Bonds3

About 1-ethyl-4-[(E)-2-(3-methylphenyl)ethenyl]benzene

1-ethyl-4-[(E)-2-(3-methylphenyl)ethenyl]benzene (PubChem CID 102133829) has the molecular formula C17H18 and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-ethyl-4-[(E)-2-(3-methylphenyl)ethenyl]benzene.

Molecular Properties

Compound Name1-ethyl-4-[(E)-2-(3-methylphenyl)ethenyl]benzene
PubChem CID102133829
Molecular FormulaC17H18
Molecular Weight222.33 g/mol
Exact Mass222.14
IUPAC Name1-ethyl-4-[(E)-2-(3-methylphenyl)ethenyl]benzene
SMILESCCc1ccc(/C=C/c2cccc(C)c2)cc1
InChIInChI=1S/C17H18/c1-3-15-7-9-16(10-8-15)11-12-17-6-4-5-14(2)13-17/h4-13H,3H2,1-2H3/b12-11+
InChIKeyIHWNSCQVSOGUCC-VAWYXSNFSA-N
XLogP4.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 54.73
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 1-ethyl-4-[(E)-2-(3-methylphenyl)ethenyl]benzene?
The IUPAC name of 1-ethyl-4-[(E)-2-(3-methylphenyl)ethenyl]benzene (CID 102133829) is 1-ethyl-4-[(E)-2-(3-methylphenyl)ethenyl]benzene.
What is the SMILES notation for 1-ethyl-4-[(E)-2-(3-methylphenyl)ethenyl]benzene?
The canonical SMILES for 1-ethyl-4-[(E)-2-(3-methylphenyl)ethenyl]benzene is CCc1ccc(/C=C/c2cccc(C)c2)cc1.
What is the InChIKey of 1-ethyl-4-[(E)-2-(3-methylphenyl)ethenyl]benzene?
The InChIKey is IHWNSCQVSOGUCC-VAWYXSNFSA-N. The full InChI is InChI=1S/C17H18/c1-3-15-7-9-16(10-8-15)11-12-17-6-4-5-14(2)13-17/h4-13H,3H2,1-2H3/b12-11+.
What are the key properties of 1-ethyl-4-[(E)-2-(3-methylphenyl)ethenyl]benzene?
1-ethyl-4-[(E)-2-(3-methylphenyl)ethenyl]benzene has a molecular weight of 222.33 g/mol, XLogP of 4.73, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[(E)-2-(3-methylphenyl)ethenyl]benzene is sourced from PubChem (CID 102133829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).