6-(4-bromophenyl)-3,7-dimethylbicyclo[3.2.2]nonane

C17H23Br — CID 156551061

IUPAC6-(4-bromophenyl)-3,7-dimethylbicyclo[3.2.2]nonane
SMILESCC1CC2CCC(C1)C(c1ccc(Br)cc1)C2C
InChIInChI=1S/C17H23Br/c1-11-9-14-3-4-15(10-11)17(12(14)2)13-5-7-16(18)8-6-13/h5-8,11-12,14-15,17H,3-4,9-10H2,1-2H3
InChIKeyILHWILNQUMDOAN-UHFFFAOYSA-N
MW307.27 g/mol
LogP5.62
Rot. Bonds1

About 6-(4-bromophenyl)-3,7-dimethylbicyclo[3.2.2]nonane

6-(4-bromophenyl)-3,7-dimethylbicyclo[3.2.2]nonane (PubChem CID 156551061) has the molecular formula C17H23Br and a molecular weight of 307.27 g/mol. Its IUPAC name is 6-(4-bromophenyl)-3,7-dimethylbicyclo[3.2.2]nonane.

Molecular Properties

Compound Name6-(4-bromophenyl)-3,7-dimethylbicyclo[3.2.2]nonane
PubChem CID156551061
Molecular FormulaC17H23Br
Molecular Weight307.27 g/mol
Exact Mass306.10
IUPAC Name6-(4-bromophenyl)-3,7-dimethylbicyclo[3.2.2]nonane
SMILESCC1CC2CCC(C1)C(c1ccc(Br)cc1)C2C
InChIInChI=1S/C17H23Br/c1-11-9-14-3-4-15(10-11)17(12(14)2)13-5-7-16(18)8-6-13/h5-8,11-12,14-15,17H,3-4,9-10H2,1-2H3
InChIKeyILHWILNQUMDOAN-UHFFFAOYSA-N
XLogP5.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.27
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 6-(4-bromophenyl)-3,7-dimethylbicyclo[3.2.2]nonane?
The IUPAC name of 6-(4-bromophenyl)-3,7-dimethylbicyclo[3.2.2]nonane (CID 156551061) is 6-(4-bromophenyl)-3,7-dimethylbicyclo[3.2.2]nonane.
What is the SMILES notation for 6-(4-bromophenyl)-3,7-dimethylbicyclo[3.2.2]nonane?
The canonical SMILES for 6-(4-bromophenyl)-3,7-dimethylbicyclo[3.2.2]nonane is CC1CC2CCC(C1)C(c1ccc(Br)cc1)C2C.
What is the InChIKey of 6-(4-bromophenyl)-3,7-dimethylbicyclo[3.2.2]nonane?
The InChIKey is ILHWILNQUMDOAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23Br/c1-11-9-14-3-4-15(10-11)17(12(14)2)13-5-7-16(18)8-6-13/h5-8,11-12,14-15,17H,3-4,9-10H2,1-2H3.
What are the key properties of 6-(4-bromophenyl)-3,7-dimethylbicyclo[3.2.2]nonane?
6-(4-bromophenyl)-3,7-dimethylbicyclo[3.2.2]nonane has a molecular weight of 307.27 g/mol, XLogP of 5.62, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromophenyl)-3,7-dimethylbicyclo[3.2.2]nonane is sourced from PubChem (CID 156551061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).