1-bicyclo[2.2.2]octanyl-(4-bromophenyl)methanone

C15H17BrO — CID 177169156

IUPAC1-bicyclo[2.2.2]octanyl-(4-bromophenyl)methanone
SMILESO=C(c1ccc(Br)cc1)C12CCC(CC1)CC2
InChIInChI=1S/C15H17BrO/c16-13-3-1-12(2-4-13)14(17)15-8-5-11(6-9-15)7-10-15/h1-4,11H,5-10H2
InChIKeyWNEONYVINRQKHP-UHFFFAOYSA-N
MW293.20 g/mol
LogP4.60
Rot. Bonds2

About 1-bicyclo[2.2.2]octanyl-(4-bromophenyl)methanone

1-bicyclo[2.2.2]octanyl-(4-bromophenyl)methanone (PubChem CID 177169156) has the molecular formula C15H17BrO and a molecular weight of 293.20 g/mol. Its IUPAC name is 1-bicyclo[2.2.2]octanyl-(4-bromophenyl)methanone.

Molecular Properties

Compound Name1-bicyclo[2.2.2]octanyl-(4-bromophenyl)methanone
PubChem CID177169156
Molecular FormulaC15H17BrO
Molecular Weight293.20 g/mol
Exact Mass292.05
IUPAC Name1-bicyclo[2.2.2]octanyl-(4-bromophenyl)methanone
SMILESO=C(c1ccc(Br)cc1)C12CCC(CC1)CC2
InChIInChI=1S/C15H17BrO/c16-13-3-1-12(2-4-13)14(17)15-8-5-11(6-9-15)7-10-15/h1-4,11H,5-10H2
InChIKeyWNEONYVINRQKHP-UHFFFAOYSA-N
XLogP4.60
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.20
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-bicyclo[2.2.2]octanyl-(4-bromophenyl)methanone?
The IUPAC name of 1-bicyclo[2.2.2]octanyl-(4-bromophenyl)methanone (CID 177169156) is 1-bicyclo[2.2.2]octanyl-(4-bromophenyl)methanone.
What is the SMILES notation for 1-bicyclo[2.2.2]octanyl-(4-bromophenyl)methanone?
The canonical SMILES for 1-bicyclo[2.2.2]octanyl-(4-bromophenyl)methanone is O=C(c1ccc(Br)cc1)C12CCC(CC1)CC2.
What is the InChIKey of 1-bicyclo[2.2.2]octanyl-(4-bromophenyl)methanone?
The InChIKey is WNEONYVINRQKHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrO/c16-13-3-1-12(2-4-13)14(17)15-8-5-11(6-9-15)7-10-15/h1-4,11H,5-10H2.
What are the key properties of 1-bicyclo[2.2.2]octanyl-(4-bromophenyl)methanone?
1-bicyclo[2.2.2]octanyl-(4-bromophenyl)methanone has a molecular weight of 293.20 g/mol, XLogP of 4.60, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bicyclo[2.2.2]octanyl-(4-bromophenyl)methanone is sourced from PubChem (CID 177169156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).