1-methoxy-4-phenylbicyclo[2.2.2]octane

C15H20O — CID 583544

IUPAC1-methoxy-4-phenylbicyclo[2.2.2]octane
SMILESCOC12CCC(c3ccccc3)(CC1)CC2
InChIInChI=1S/C15H20O/c1-16-15-10-7-14(8-11-15,9-12-15)13-5-3-2-4-6-13/h2-6H,7-12H2,1H3
InChIKeyBXOFTRZDRDMCRB-UHFFFAOYSA-N
MW216.32 g/mol
LogP3.68
Rot. Bonds2

About 1-methoxy-4-phenylbicyclo[2.2.2]octane

1-methoxy-4-phenylbicyclo[2.2.2]octane (PubChem CID 583544) has the molecular formula C15H20O and a molecular weight of 216.32 g/mol. Its IUPAC name is 1-methoxy-4-phenylbicyclo[2.2.2]octane.

Molecular Properties

Compound Name1-methoxy-4-phenylbicyclo[2.2.2]octane
PubChem CID583544
Molecular FormulaC15H20O
Molecular Weight216.32 g/mol
Exact Mass216.15
IUPAC Name1-methoxy-4-phenylbicyclo[2.2.2]octane
SMILESCOC12CCC(c3ccccc3)(CC1)CC2
InChIInChI=1S/C15H20O/c1-16-15-10-7-14(8-11-15,9-12-15)13-5-3-2-4-6-13/h2-6H,7-12H2,1H3
InChIKeyBXOFTRZDRDMCRB-UHFFFAOYSA-N
XLogP3.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-phenylbicyclo[2.2.2]octane?
The IUPAC name of 1-methoxy-4-phenylbicyclo[2.2.2]octane (CID 583544) is 1-methoxy-4-phenylbicyclo[2.2.2]octane.
What is the SMILES notation for 1-methoxy-4-phenylbicyclo[2.2.2]octane?
The canonical SMILES for 1-methoxy-4-phenylbicyclo[2.2.2]octane is COC12CCC(c3ccccc3)(CC1)CC2.
What is the InChIKey of 1-methoxy-4-phenylbicyclo[2.2.2]octane?
The InChIKey is BXOFTRZDRDMCRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O/c1-16-15-10-7-14(8-11-15,9-12-15)13-5-3-2-4-6-13/h2-6H,7-12H2,1H3.
What are the key properties of 1-methoxy-4-phenylbicyclo[2.2.2]octane?
1-methoxy-4-phenylbicyclo[2.2.2]octane has a molecular weight of 216.32 g/mol, XLogP of 3.68, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-phenylbicyclo[2.2.2]octane is sourced from PubChem (CID 583544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).