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

C15H18 — CID 54044423

IUPAC1-(2-ethylphenyl)bicyclo[2.2.1]hept-2-ene
SMILESCCc1ccccc1C12C=CC(CC1)C2
InChIInChI=1S/C15H18/c1-2-13-5-3-4-6-14(13)15-9-7-12(11-15)8-10-15/h3-7,9,12H,2,8,10-11H2,1H3
InChIKeyLOODIZINQABRLN-UHFFFAOYSA-N
MW198.31 g/mol
LogP3.86
Rot. Bonds2

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

1-(2-ethylphenyl)bicyclo[2.2.1]hept-2-ene (PubChem CID 54044423) has the molecular formula C15H18 and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-(2-ethylphenyl)bicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name1-(2-ethylphenyl)bicyclo[2.2.1]hept-2-ene
PubChem CID54044423
Molecular FormulaC15H18
Molecular Weight198.31 g/mol
Exact Mass198.14
IUPAC Name1-(2-ethylphenyl)bicyclo[2.2.1]hept-2-ene
SMILESCCc1ccccc1C12C=CC(CC1)C2
InChIInChI=1S/C15H18/c1-2-13-5-3-4-6-14(13)15-9-7-12(11-15)8-10-15/h3-7,9,12H,2,8,10-11H2,1H3
InChIKeyLOODIZINQABRLN-UHFFFAOYSA-N
XLogP3.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 53.86
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 1-(2-ethylphenyl)bicyclo[2.2.1]hept-2-ene?
The IUPAC name of 1-(2-ethylphenyl)bicyclo[2.2.1]hept-2-ene (CID 54044423) is 1-(2-ethylphenyl)bicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 1-(2-ethylphenyl)bicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 1-(2-ethylphenyl)bicyclo[2.2.1]hept-2-ene is CCc1ccccc1C12C=CC(CC1)C2.
What is the InChIKey of 1-(2-ethylphenyl)bicyclo[2.2.1]hept-2-ene?
The InChIKey is LOODIZINQABRLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18/c1-2-13-5-3-4-6-14(13)15-9-7-12(11-15)8-10-15/h3-7,9,12H,2,8,10-11H2,1H3.
What are the key properties of 1-(2-ethylphenyl)bicyclo[2.2.1]hept-2-ene?
1-(2-ethylphenyl)bicyclo[2.2.1]hept-2-ene has a molecular weight of 198.31 g/mol, XLogP of 3.86, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylphenyl)bicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 54044423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).