2-(2-phenylethyl)bicyclo[2.2.1]hept-1-ene

C15H18 — CID 173065260

IUPAC2-(2-phenylethyl)bicyclo[2.2.1]hept-1-ene
SMILESc1ccc(CCC2=C3CCC(C2)C3)cc1
InChIInChI=1S/C15H18/c1-2-4-12(5-3-1)6-8-14-10-13-7-9-15(14)11-13/h1-5,13H,6-11H2
InChIKeyGVOQSFZIAQJFAD-UHFFFAOYSA-N
MW198.31 g/mol
LogP4.12
Rot. Bonds3

About 2-(2-phenylethyl)bicyclo[2.2.1]hept-1-ene

2-(2-phenylethyl)bicyclo[2.2.1]hept-1-ene (PubChem CID 173065260) has the molecular formula C15H18 and a molecular weight of 198.31 g/mol. Its IUPAC name is 2-(2-phenylethyl)bicyclo[2.2.1]hept-1-ene.

Molecular Properties

Compound Name2-(2-phenylethyl)bicyclo[2.2.1]hept-1-ene
PubChem CID173065260
Molecular FormulaC15H18
Molecular Weight198.31 g/mol
Exact Mass198.14
IUPAC Name2-(2-phenylethyl)bicyclo[2.2.1]hept-1-ene
SMILESc1ccc(CCC2=C3CCC(C2)C3)cc1
InChIInChI=1S/C15H18/c1-2-4-12(5-3-1)6-8-14-10-13-7-9-15(14)11-13/h1-5,13H,6-11H2
InChIKeyGVOQSFZIAQJFAD-UHFFFAOYSA-N
XLogP4.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylethyl)bicyclo[2.2.1]hept-1-ene?
The IUPAC name of 2-(2-phenylethyl)bicyclo[2.2.1]hept-1-ene (CID 173065260) is 2-(2-phenylethyl)bicyclo[2.2.1]hept-1-ene.
What is the SMILES notation for 2-(2-phenylethyl)bicyclo[2.2.1]hept-1-ene?
The canonical SMILES for 2-(2-phenylethyl)bicyclo[2.2.1]hept-1-ene is c1ccc(CCC2=C3CCC(C2)C3)cc1.
What is the InChIKey of 2-(2-phenylethyl)bicyclo[2.2.1]hept-1-ene?
The InChIKey is GVOQSFZIAQJFAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18/c1-2-4-12(5-3-1)6-8-14-10-13-7-9-15(14)11-13/h1-5,13H,6-11H2.
What are the key properties of 2-(2-phenylethyl)bicyclo[2.2.1]hept-1-ene?
2-(2-phenylethyl)bicyclo[2.2.1]hept-1-ene has a molecular weight of 198.31 g/mol, XLogP of 4.12, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylethyl)bicyclo[2.2.1]hept-1-ene is sourced from PubChem (CID 173065260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).