1-(4-methylphenyl)bicyclo[2.2.2]octane

C15H20 — CID 58390113

IUPAC1-(4-methylphenyl)bicyclo[2.2.2]octane
SMILESCc1ccc(C23CCC(CC2)CC3)cc1
InChIInChI=1S/C15H20/c1-12-2-4-14(5-3-12)15-9-6-13(7-10-15)8-11-15/h2-5,13H,6-11H2,1H3
InChIKeyQZJDPOCGTYOABR-UHFFFAOYSA-N
MW200.33 g/mol
LogP4.22
Rot. Bonds1

About 1-(4-methylphenyl)bicyclo[2.2.2]octane

1-(4-methylphenyl)bicyclo[2.2.2]octane (PubChem CID 58390113) has the molecular formula C15H20 and a molecular weight of 200.33 g/mol. Its IUPAC name is 1-(4-methylphenyl)bicyclo[2.2.2]octane.

Molecular Properties

Compound Name1-(4-methylphenyl)bicyclo[2.2.2]octane
PubChem CID58390113
Molecular FormulaC15H20
Molecular Weight200.33 g/mol
Exact Mass200.16
IUPAC Name1-(4-methylphenyl)bicyclo[2.2.2]octane
SMILESCc1ccc(C23CCC(CC2)CC3)cc1
InChIInChI=1S/C15H20/c1-12-2-4-14(5-3-12)15-9-6-13(7-10-15)8-11-15/h2-5,13H,6-11H2,1H3
InChIKeyQZJDPOCGTYOABR-UHFFFAOYSA-N
XLogP4.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)bicyclo[2.2.2]octane?
The IUPAC name of 1-(4-methylphenyl)bicyclo[2.2.2]octane (CID 58390113) is 1-(4-methylphenyl)bicyclo[2.2.2]octane.
What is the SMILES notation for 1-(4-methylphenyl)bicyclo[2.2.2]octane?
The canonical SMILES for 1-(4-methylphenyl)bicyclo[2.2.2]octane is Cc1ccc(C23CCC(CC2)CC3)cc1.
What is the InChIKey of 1-(4-methylphenyl)bicyclo[2.2.2]octane?
The InChIKey is QZJDPOCGTYOABR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20/c1-12-2-4-14(5-3-12)15-9-6-13(7-10-15)8-11-15/h2-5,13H,6-11H2,1H3.
What are the key properties of 1-(4-methylphenyl)bicyclo[2.2.2]octane?
1-(4-methylphenyl)bicyclo[2.2.2]octane has a molecular weight of 200.33 g/mol, XLogP of 4.22, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)bicyclo[2.2.2]octane is sourced from PubChem (CID 58390113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).