3-bromo-8-cyclohexyl-8-methylbicyclo[4.2.0]octa-1(6),2,4-triene

C15H19Br — CID 146324496

IUPAC3-bromo-8-cyclohexyl-8-methylbicyclo[4.2.0]octa-1(6),2,4-triene
SMILESCC1(C2CCCCC2)Cc2ccc(Br)cc21
InChIInChI=1S/C15H19Br/c1-15(12-5-3-2-4-6-12)10-11-7-8-13(16)9-14(11)15/h7-9,12H,2-6,10H2,1H3
InChIKeyGNFRMKCPTSDFLA-UHFFFAOYSA-N
MW279.22 g/mol
LogP4.84
Rot. Bonds1

About 3-bromo-8-cyclohexyl-8-methylbicyclo[4.2.0]octa-1(6),2,4-triene

3-bromo-8-cyclohexyl-8-methylbicyclo[4.2.0]octa-1(6),2,4-triene (PubChem CID 146324496) has the molecular formula C15H19Br and a molecular weight of 279.22 g/mol. Its IUPAC name is 3-bromo-8-cyclohexyl-8-methylbicyclo[4.2.0]octa-1(6),2,4-triene.

Molecular Properties

Compound Name3-bromo-8-cyclohexyl-8-methylbicyclo[4.2.0]octa-1(6),2,4-triene
PubChem CID146324496
Molecular FormulaC15H19Br
Molecular Weight279.22 g/mol
Exact Mass278.07
IUPAC Name3-bromo-8-cyclohexyl-8-methylbicyclo[4.2.0]octa-1(6),2,4-triene
SMILESCC1(C2CCCCC2)Cc2ccc(Br)cc21
InChIInChI=1S/C15H19Br/c1-15(12-5-3-2-4-6-12)10-11-7-8-13(16)9-14(11)15/h7-9,12H,2-6,10H2,1H3
InChIKeyGNFRMKCPTSDFLA-UHFFFAOYSA-N
XLogP4.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.22
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-8-cyclohexyl-8-methylbicyclo[4.2.0]octa-1(6),2,4-triene?
The IUPAC name of 3-bromo-8-cyclohexyl-8-methylbicyclo[4.2.0]octa-1(6),2,4-triene (CID 146324496) is 3-bromo-8-cyclohexyl-8-methylbicyclo[4.2.0]octa-1(6),2,4-triene.
What is the SMILES notation for 3-bromo-8-cyclohexyl-8-methylbicyclo[4.2.0]octa-1(6),2,4-triene?
The canonical SMILES for 3-bromo-8-cyclohexyl-8-methylbicyclo[4.2.0]octa-1(6),2,4-triene is CC1(C2CCCCC2)Cc2ccc(Br)cc21.
What is the InChIKey of 3-bromo-8-cyclohexyl-8-methylbicyclo[4.2.0]octa-1(6),2,4-triene?
The InChIKey is GNFRMKCPTSDFLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Br/c1-15(12-5-3-2-4-6-12)10-11-7-8-13(16)9-14(11)15/h7-9,12H,2-6,10H2,1H3.
What are the key properties of 3-bromo-8-cyclohexyl-8-methylbicyclo[4.2.0]octa-1(6),2,4-triene?
3-bromo-8-cyclohexyl-8-methylbicyclo[4.2.0]octa-1(6),2,4-triene has a molecular weight of 279.22 g/mol, XLogP of 4.84, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-8-cyclohexyl-8-methylbicyclo[4.2.0]octa-1(6),2,4-triene is sourced from PubChem (CID 146324496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).