2-phenylbicyclo[1.1.1]pentane

C11H12 — CID 11051794

IUPAC2-phenylbicyclo[1.1.1]pentane
SMILESc1ccc(C2C3CC2C3)cc1
InChIInChI=1S/C11H12/c1-2-4-8(5-3-1)11-9-6-10(11)7-9/h1-5,9-11H,6-7H2
InChIKeyCENYUOBGLJHZRB-UHFFFAOYSA-N
MW144.22 g/mol
LogP2.81
Rot. Bonds1

About 2-phenylbicyclo[1.1.1]pentane

2-phenylbicyclo[1.1.1]pentane (PubChem CID 11051794) has the molecular formula C11H12 and a molecular weight of 144.22 g/mol. Its IUPAC name is 2-phenylbicyclo[1.1.1]pentane.

Molecular Properties

Compound Name2-phenylbicyclo[1.1.1]pentane
PubChem CID11051794
Molecular FormulaC11H12
Molecular Weight144.22 g/mol
Exact Mass144.09
IUPAC Name2-phenylbicyclo[1.1.1]pentane
SMILESc1ccc(C2C3CC2C3)cc1
InChIInChI=1S/C11H12/c1-2-4-8(5-3-1)11-9-6-10(11)7-9/h1-5,9-11H,6-7H2
InChIKeyCENYUOBGLJHZRB-UHFFFAOYSA-N
XLogP2.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-phenylbicyclo[1.1.1]pentane?
The IUPAC name of 2-phenylbicyclo[1.1.1]pentane (CID 11051794) is 2-phenylbicyclo[1.1.1]pentane.
What is the SMILES notation for 2-phenylbicyclo[1.1.1]pentane?
The canonical SMILES for 2-phenylbicyclo[1.1.1]pentane is c1ccc(C2C3CC2C3)cc1.
What is the InChIKey of 2-phenylbicyclo[1.1.1]pentane?
The InChIKey is CENYUOBGLJHZRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12/c1-2-4-8(5-3-1)11-9-6-10(11)7-9/h1-5,9-11H,6-7H2.
What are the key properties of 2-phenylbicyclo[1.1.1]pentane?
2-phenylbicyclo[1.1.1]pentane has a molecular weight of 144.22 g/mol, XLogP of 2.81, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylbicyclo[1.1.1]pentane is sourced from PubChem (CID 11051794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).