2-(2-phenylethyl)bicyclo[2.2.1]heptane

C15H20 — CID 13308724

IUPAC2-(2-phenylethyl)bicyclo[2.2.1]heptane
SMILESc1ccc(CCC2CC3CCC2C3)cc1
InChIInChI=1S/C15H20/c1-2-4-12(5-3-1)6-8-14-10-13-7-9-15(14)11-13/h1-5,13-15H,6-11H2
InChIKeyWYQMEPLEFAWJAQ-UHFFFAOYSA-N
MW200.33 g/mol
LogP4.06
Rot. Bonds3

About 2-(2-phenylethyl)bicyclo[2.2.1]heptane

2-(2-phenylethyl)bicyclo[2.2.1]heptane (PubChem CID 13308724) has the molecular formula C15H20 and a molecular weight of 200.33 g/mol. Its IUPAC name is 2-(2-phenylethyl)bicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-(2-phenylethyl)bicyclo[2.2.1]heptane
PubChem CID13308724
Molecular FormulaC15H20
Molecular Weight200.33 g/mol
Exact Mass200.16
IUPAC Name2-(2-phenylethyl)bicyclo[2.2.1]heptane
SMILESc1ccc(CCC2CC3CCC2C3)cc1
InChIInChI=1S/C15H20/c1-2-4-12(5-3-1)6-8-14-10-13-7-9-15(14)11-13/h1-5,13-15H,6-11H2
InChIKeyWYQMEPLEFAWJAQ-UHFFFAOYSA-N
XLogP4.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylethyl)bicyclo[2.2.1]heptane?
The IUPAC name of 2-(2-phenylethyl)bicyclo[2.2.1]heptane (CID 13308724) is 2-(2-phenylethyl)bicyclo[2.2.1]heptane.
What is the SMILES notation for 2-(2-phenylethyl)bicyclo[2.2.1]heptane?
The canonical SMILES for 2-(2-phenylethyl)bicyclo[2.2.1]heptane is c1ccc(CCC2CC3CCC2C3)cc1.
What is the InChIKey of 2-(2-phenylethyl)bicyclo[2.2.1]heptane?
The InChIKey is WYQMEPLEFAWJAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20/c1-2-4-12(5-3-1)6-8-14-10-13-7-9-15(14)11-13/h1-5,13-15H,6-11H2.
What are the key properties of 2-(2-phenylethyl)bicyclo[2.2.1]heptane?
2-(2-phenylethyl)bicyclo[2.2.1]heptane has a molecular weight of 200.33 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylethyl)bicyclo[2.2.1]heptane is sourced from PubChem (CID 13308724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).