2-(5-phenyl-2-bicyclo[2.2.1]heptanyl)oxirane

C15H18O — CID 90375400

IUPAC2-(5-phenyl-2-bicyclo[2.2.1]heptanyl)oxirane
SMILESc1ccc(C2CC3CC2CC3C2CO2)cc1
InChIInChI=1S/C15H18O/c1-2-4-10(5-3-1)13-7-12-6-11(13)8-14(12)15-9-16-15/h1-5,11-15H,6-9H2
InChIKeyYLKKGWYJLDZGSD-UHFFFAOYSA-N
MW214.31 g/mol
LogP3.22
Rot. Bonds2

About 2-(5-phenyl-2-bicyclo[2.2.1]heptanyl)oxirane

2-(5-phenyl-2-bicyclo[2.2.1]heptanyl)oxirane (PubChem CID 90375400) has the molecular formula C15H18O and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-(5-phenyl-2-bicyclo[2.2.1]heptanyl)oxirane.

Molecular Properties

Compound Name2-(5-phenyl-2-bicyclo[2.2.1]heptanyl)oxirane
PubChem CID90375400
Molecular FormulaC15H18O
Molecular Weight214.31 g/mol
Exact Mass214.14
IUPAC Name2-(5-phenyl-2-bicyclo[2.2.1]heptanyl)oxirane
SMILESc1ccc(C2CC3CC2CC3C2CO2)cc1
InChIInChI=1S/C15H18O/c1-2-4-10(5-3-1)13-7-12-6-11(13)8-14(12)15-9-16-15/h1-5,11-15H,6-9H2
InChIKeyYLKKGWYJLDZGSD-UHFFFAOYSA-N
XLogP3.22
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(5-phenyl-2-bicyclo[2.2.1]heptanyl)oxirane?
The IUPAC name of 2-(5-phenyl-2-bicyclo[2.2.1]heptanyl)oxirane (CID 90375400) is 2-(5-phenyl-2-bicyclo[2.2.1]heptanyl)oxirane.
What is the SMILES notation for 2-(5-phenyl-2-bicyclo[2.2.1]heptanyl)oxirane?
The canonical SMILES for 2-(5-phenyl-2-bicyclo[2.2.1]heptanyl)oxirane is c1ccc(C2CC3CC2CC3C2CO2)cc1.
What is the InChIKey of 2-(5-phenyl-2-bicyclo[2.2.1]heptanyl)oxirane?
The InChIKey is YLKKGWYJLDZGSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O/c1-2-4-10(5-3-1)13-7-12-6-11(13)8-14(12)15-9-16-15/h1-5,11-15H,6-9H2.
What are the key properties of 2-(5-phenyl-2-bicyclo[2.2.1]heptanyl)oxirane?
2-(5-phenyl-2-bicyclo[2.2.1]heptanyl)oxirane has a molecular weight of 214.31 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-phenyl-2-bicyclo[2.2.1]heptanyl)oxirane is sourced from PubChem (CID 90375400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).