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

C17H14 — CID 143254024

IUPAC1-ethenyl-4-[2-(3-methylphenyl)ethynyl]benzene
SMILESC=Cc1ccc(C#Cc2cccc(C)c2)cc1
InChIInChI=1S/C17H14/c1-3-15-7-9-16(10-8-15)11-12-17-6-4-5-14(2)13-17/h3-10,13H,1H2,2H3
InChIKeyCUTAOWCULIMSJA-UHFFFAOYSA-N
MW218.30 g/mol
LogP4.04
Rot. Bonds1

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

1-ethenyl-4-[2-(3-methylphenyl)ethynyl]benzene (PubChem CID 143254024) has the molecular formula C17H14 and a molecular weight of 218.30 g/mol. Its IUPAC name is 1-ethenyl-4-[2-(3-methylphenyl)ethynyl]benzene.

Molecular Properties

Compound Name1-ethenyl-4-[2-(3-methylphenyl)ethynyl]benzene
PubChem CID143254024
Molecular FormulaC17H14
Molecular Weight218.30 g/mol
Exact Mass218.11
IUPAC Name1-ethenyl-4-[2-(3-methylphenyl)ethynyl]benzene
SMILESC=Cc1ccc(C#Cc2cccc(C)c2)cc1
InChIInChI=1S/C17H14/c1-3-15-7-9-16(10-8-15)11-12-17-6-4-5-14(2)13-17/h3-10,13H,1H2,2H3
InChIKeyCUTAOWCULIMSJA-UHFFFAOYSA-N
XLogP4.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-4-[2-(3-methylphenyl)ethynyl]benzene?
The IUPAC name of 1-ethenyl-4-[2-(3-methylphenyl)ethynyl]benzene (CID 143254024) is 1-ethenyl-4-[2-(3-methylphenyl)ethynyl]benzene.
What is the SMILES notation for 1-ethenyl-4-[2-(3-methylphenyl)ethynyl]benzene?
The canonical SMILES for 1-ethenyl-4-[2-(3-methylphenyl)ethynyl]benzene is C=Cc1ccc(C#Cc2cccc(C)c2)cc1.
What is the InChIKey of 1-ethenyl-4-[2-(3-methylphenyl)ethynyl]benzene?
The InChIKey is CUTAOWCULIMSJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14/c1-3-15-7-9-16(10-8-15)11-12-17-6-4-5-14(2)13-17/h3-10,13H,1H2,2H3.
What are the key properties of 1-ethenyl-4-[2-(3-methylphenyl)ethynyl]benzene?
1-ethenyl-4-[2-(3-methylphenyl)ethynyl]benzene has a molecular weight of 218.30 g/mol, XLogP of 4.04, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-4-[2-(3-methylphenyl)ethynyl]benzene is sourced from PubChem (CID 143254024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).