5-(2-chlorophenyl)-5-methylbicyclo[2.2.1]hept-2-ene

C14H15Cl — CID 67140175

IUPAC5-(2-chlorophenyl)-5-methylbicyclo[2.2.1]hept-2-ene
SMILESCC1(c2ccccc2Cl)CC2C=CC1C2
InChIInChI=1S/C14H15Cl/c1-14(9-10-6-7-11(14)8-10)12-4-2-3-5-13(12)15/h2-7,10-11H,8-9H2,1H3
InChIKeyQIICRRZNLCYWIJ-UHFFFAOYSA-N
MW218.73 g/mol
LogP4.19
Rot. Bonds1

About 5-(2-chlorophenyl)-5-methylbicyclo[2.2.1]hept-2-ene

5-(2-chlorophenyl)-5-methylbicyclo[2.2.1]hept-2-ene (PubChem CID 67140175) has the molecular formula C14H15Cl and a molecular weight of 218.73 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-5-methylbicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name5-(2-chlorophenyl)-5-methylbicyclo[2.2.1]hept-2-ene
PubChem CID67140175
Molecular FormulaC14H15Cl
Molecular Weight218.73 g/mol
Exact Mass218.09
IUPAC Name5-(2-chlorophenyl)-5-methylbicyclo[2.2.1]hept-2-ene
SMILESCC1(c2ccccc2Cl)CC2C=CC1C2
InChIInChI=1S/C14H15Cl/c1-14(9-10-6-7-11(14)8-10)12-4-2-3-5-13(12)15/h2-7,10-11H,8-9H2,1H3
InChIKeyQIICRRZNLCYWIJ-UHFFFAOYSA-N
XLogP4.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.73
LogP ≤ 54.19
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 5-(2-chlorophenyl)-5-methylbicyclo[2.2.1]hept-2-ene?
The IUPAC name of 5-(2-chlorophenyl)-5-methylbicyclo[2.2.1]hept-2-ene (CID 67140175) is 5-(2-chlorophenyl)-5-methylbicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 5-(2-chlorophenyl)-5-methylbicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 5-(2-chlorophenyl)-5-methylbicyclo[2.2.1]hept-2-ene is CC1(c2ccccc2Cl)CC2C=CC1C2.
What is the InChIKey of 5-(2-chlorophenyl)-5-methylbicyclo[2.2.1]hept-2-ene?
The InChIKey is QIICRRZNLCYWIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl/c1-14(9-10-6-7-11(14)8-10)12-4-2-3-5-13(12)15/h2-7,10-11H,8-9H2,1H3.
What are the key properties of 5-(2-chlorophenyl)-5-methylbicyclo[2.2.1]hept-2-ene?
5-(2-chlorophenyl)-5-methylbicyclo[2.2.1]hept-2-ene has a molecular weight of 218.73 g/mol, XLogP of 4.19, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-5-methylbicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 67140175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).