1-[2-(1-bicyclo[2.2.1]heptanyl)phenyl]bicyclo[2.2.1]heptane

C20H26 — CID 19801396

IUPAC1-[2-(1-bicyclo[2.2.1]heptanyl)phenyl]bicyclo[2.2.1]heptane
SMILESc1ccc(C23CCC(CC2)C3)c(C23CCC(CC2)C3)c1
InChIInChI=1S/C20H26/c1-2-4-18(20-11-7-16(14-20)8-12-20)17(3-1)19-9-5-15(13-19)6-10-19/h1-4,15-16H,5-14H2
InChIKeyWKUKLLBZUNIWMW-UHFFFAOYSA-N
MW266.43 g/mol
LogP5.35
Rot. Bonds2

About 1-[2-(1-bicyclo[2.2.1]heptanyl)phenyl]bicyclo[2.2.1]heptane

1-[2-(1-bicyclo[2.2.1]heptanyl)phenyl]bicyclo[2.2.1]heptane (PubChem CID 19801396) has the molecular formula C20H26 and a molecular weight of 266.43 g/mol. Its IUPAC name is 1-[2-(1-bicyclo[2.2.1]heptanyl)phenyl]bicyclo[2.2.1]heptane.

Molecular Properties

Compound Name1-[2-(1-bicyclo[2.2.1]heptanyl)phenyl]bicyclo[2.2.1]heptane
PubChem CID19801396
Molecular FormulaC20H26
Molecular Weight266.43 g/mol
Exact Mass266.20
IUPAC Name1-[2-(1-bicyclo[2.2.1]heptanyl)phenyl]bicyclo[2.2.1]heptane
SMILESc1ccc(C23CCC(CC2)C3)c(C23CCC(CC2)C3)c1
InChIInChI=1S/C20H26/c1-2-4-18(20-11-7-16(14-20)8-12-20)17(3-1)19-9-5-15(13-19)6-10-19/h1-4,15-16H,5-14H2
InChIKeyWKUKLLBZUNIWMW-UHFFFAOYSA-N
XLogP5.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.43
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-bicyclo[2.2.1]heptanyl)phenyl]bicyclo[2.2.1]heptane?
The IUPAC name of 1-[2-(1-bicyclo[2.2.1]heptanyl)phenyl]bicyclo[2.2.1]heptane (CID 19801396) is 1-[2-(1-bicyclo[2.2.1]heptanyl)phenyl]bicyclo[2.2.1]heptane.
What is the SMILES notation for 1-[2-(1-bicyclo[2.2.1]heptanyl)phenyl]bicyclo[2.2.1]heptane?
The canonical SMILES for 1-[2-(1-bicyclo[2.2.1]heptanyl)phenyl]bicyclo[2.2.1]heptane is c1ccc(C23CCC(CC2)C3)c(C23CCC(CC2)C3)c1.
What is the InChIKey of 1-[2-(1-bicyclo[2.2.1]heptanyl)phenyl]bicyclo[2.2.1]heptane?
The InChIKey is WKUKLLBZUNIWMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26/c1-2-4-18(20-11-7-16(14-20)8-12-20)17(3-1)19-9-5-15(13-19)6-10-19/h1-4,15-16H,5-14H2.
What are the key properties of 1-[2-(1-bicyclo[2.2.1]heptanyl)phenyl]bicyclo[2.2.1]heptane?
1-[2-(1-bicyclo[2.2.1]heptanyl)phenyl]bicyclo[2.2.1]heptane has a molecular weight of 266.43 g/mol, XLogP of 5.35, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-bicyclo[2.2.1]heptanyl)phenyl]bicyclo[2.2.1]heptane is sourced from PubChem (CID 19801396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).