5-(2-phenylethyl)bicyclo[2.2.1]hept-2-ene

C15H18 — CID 21426212

IUPAC5-(2-phenylethyl)bicyclo[2.2.1]hept-2-ene
SMILESC1=CC2CC1CC2CCc1ccccc1
InChIInChI=1S/C15H18/c1-2-4-12(5-3-1)6-8-14-10-13-7-9-15(14)11-13/h1-5,7,9,13-15H,6,8,10-11H2
InChIKeyBEHBBKCBARHMJQ-UHFFFAOYSA-N
MW198.31 g/mol
LogP3.83
Rot. Bonds3

About 5-(2-phenylethyl)bicyclo[2.2.1]hept-2-ene

5-(2-phenylethyl)bicyclo[2.2.1]hept-2-ene (PubChem CID 21426212) has the molecular formula C15H18 and a molecular weight of 198.31 g/mol. Its IUPAC name is 5-(2-phenylethyl)bicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name5-(2-phenylethyl)bicyclo[2.2.1]hept-2-ene
PubChem CID21426212
Molecular FormulaC15H18
Molecular Weight198.31 g/mol
Exact Mass198.14
IUPAC Name5-(2-phenylethyl)bicyclo[2.2.1]hept-2-ene
SMILESC1=CC2CC1CC2CCc1ccccc1
InChIInChI=1S/C15H18/c1-2-4-12(5-3-1)6-8-14-10-13-7-9-15(14)11-13/h1-5,7,9,13-15H,6,8,10-11H2
InChIKeyBEHBBKCBARHMJQ-UHFFFAOYSA-N
XLogP3.83
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 ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

5-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]bicyclo[2.2.1]hept-2-ene
CID 160903518
2-(2-methylcyclopropyl)ethylbenzene
CID 15532829
[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl 2-phenylacetate
CID 98571872
N-[[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]aniline
CID 93281000
benzyl 2-(2-bicyclo[2.2.1]hept-5-enyl)acetate
CID 155012287
benzyl-[1-[[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]piperidin-1-ium-4-yl]-(2-phenylethyl)azanium
CID 11861457
2-[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]ethanamine
CID 98147464
N-benzyl-1-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-N-(2-phenylethyl)piperidin-4-amine
CID 18389509
5-(2-phenoxyethyl)bicyclo[2.2.1]hept-2-ene;5-(phenoxymethyl)bicyclo[2.2.1]hept-2-ene;5-(4-phenylbutyl)bicyclo[2.2.1]hept-2-ene;5-(2-phenylethoxy)bicyclo[2.2.1]hept-2-ene;5-(2-phenylethyl)bicyclo[2.2.1]hept-2-ene;5-(phenylmethoxymethyl)bicyclo[2.2.1]hept-2-ene;5-(3-phenylpropyl)bicyclo[2.2.1]hept-2-ene
CID 159451891
2-[(1S,2R)-2-(iodomethyl)cyclopropyl]ethylbenzene
CID 102318249
bis(2-bicyclo[2.2.1]hept-5-enylmethoxy)-diphenylsilane
CID 22983009
(E)-N-benzyl-N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-phenylprop-2-enamide
CID 42701074

Frequently Asked Questions

What is the IUPAC name of 5-(2-phenylethyl)bicyclo[2.2.1]hept-2-ene?
The IUPAC name of 5-(2-phenylethyl)bicyclo[2.2.1]hept-2-ene (CID 21426212) is 5-(2-phenylethyl)bicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 5-(2-phenylethyl)bicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 5-(2-phenylethyl)bicyclo[2.2.1]hept-2-ene is C1=CC2CC1CC2CCc1ccccc1.
What is the InChIKey of 5-(2-phenylethyl)bicyclo[2.2.1]hept-2-ene?
The InChIKey is BEHBBKCBARHMJQ-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/h1-5,7,9,13-15H,6,8,10-11H2.
What are the key properties of 5-(2-phenylethyl)bicyclo[2.2.1]hept-2-ene?
5-(2-phenylethyl)bicyclo[2.2.1]hept-2-ene has a molecular weight of 198.31 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-phenylethyl)bicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 21426212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).