2-benzylbicyclo[2.2.1]heptane

C14H18 — CID 565410

IUPAC2-benzylbicyclo[2.2.1]heptane
SMILESc1ccc(CC2CC3CCC2C3)cc1
InChIInChI=1S/C14H18/c1-2-4-11(5-3-1)8-14-10-12-6-7-13(14)9-12/h1-5,12-14H,6-10H2
InChIKeyCBDBDKNQQUIABY-UHFFFAOYSA-N
MW186.30 g/mol
LogP3.67
Rot. Bonds2

About 2-benzylbicyclo[2.2.1]heptane

2-benzylbicyclo[2.2.1]heptane (PubChem CID 565410) has the molecular formula C14H18 and a molecular weight of 186.30 g/mol. Its IUPAC name is 2-benzylbicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-benzylbicyclo[2.2.1]heptane
PubChem CID565410
Molecular FormulaC14H18
Molecular Weight186.30 g/mol
Exact Mass186.14
IUPAC Name2-benzylbicyclo[2.2.1]heptane
SMILESc1ccc(CC2CC3CCC2C3)cc1
InChIInChI=1S/C14H18/c1-2-4-11(5-3-1)8-14-10-12-6-7-13(14)9-12/h1-5,12-14H,6-10H2
InChIKeyCBDBDKNQQUIABY-UHFFFAOYSA-N
XLogP3.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-benzylbicyclo[2.2.1]heptane?
The IUPAC name of 2-benzylbicyclo[2.2.1]heptane (CID 565410) is 2-benzylbicyclo[2.2.1]heptane.
What is the SMILES notation for 2-benzylbicyclo[2.2.1]heptane?
The canonical SMILES for 2-benzylbicyclo[2.2.1]heptane is c1ccc(CC2CC3CCC2C3)cc1.
What is the InChIKey of 2-benzylbicyclo[2.2.1]heptane?
The InChIKey is CBDBDKNQQUIABY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18/c1-2-4-11(5-3-1)8-14-10-12-6-7-13(14)9-12/h1-5,12-14H,6-10H2.
What are the key properties of 2-benzylbicyclo[2.2.1]heptane?
2-benzylbicyclo[2.2.1]heptane has a molecular weight of 186.30 g/mol, XLogP of 3.67, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylbicyclo[2.2.1]heptane is sourced from PubChem (CID 565410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).