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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Related Compounds

8-cycloundecyl-8-methylbicyclo[4.2.0]octa-1(6),2,4-trien-3-amine
CID 138601617
6-bromo-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol
CID 58950985
6-bromo-4,4-dimethyl-2,3-dihydro-1H-naphthalene
CID 10537940
5-bromo-2-methyl-1,3-dihydroinden-2-ol
CID 122530552
2-(7-bromo-3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-1-cycloheptylethanone
CID 69212498
6-bromo-3,3-dimethyl-2,4-dihydro-1H-naphthalene
CID 144794657
4-bromo-1-methoxy-2-(1-methylcyclohexyl)benzene
CID 10684359
5-bromo-3,3-di(propan-2-yl)-1,2-dihydroindene
CID 169145643
4-bromo-2-cyclohexylaniline
CID 117104255
2,7-dibromo-10,10-dimethyl-9H-anthracene
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7-(4-bromo-2-methylphenyl)bicyclo[4.1.0]heptan-7-ol
CID 79331056
4-bromobenzene-1,2-diamine;methoxycyclohexane
CID 142331232

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).