3-(4-bromo-2-chloro-5-methylphenyl)bicyclo[3.1.0]hexane

C13H14BrCl — CID 169256707

IUPAC3-(4-bromo-2-chloro-5-methylphenyl)bicyclo[3.1.0]hexane
SMILESCc1cc(C2CC3CC3C2)c(Cl)cc1Br
InChIInChI=1S/C13H14BrCl/c1-7-2-11(13(15)6-12(7)14)10-4-8-3-9(8)5-10/h2,6,8-10H,3-5H2,1H3
InChIKeyJYHCRLYMZFREEP-UHFFFAOYSA-N
MW285.61 g/mol
LogP4.92
Rot. Bonds1

About 3-(4-bromo-2-chloro-5-methylphenyl)bicyclo[3.1.0]hexane

3-(4-bromo-2-chloro-5-methylphenyl)bicyclo[3.1.0]hexane (PubChem CID 169256707) has the molecular formula C13H14BrCl and a molecular weight of 285.61 g/mol. Its IUPAC name is 3-(4-bromo-2-chloro-5-methylphenyl)bicyclo[3.1.0]hexane.

Molecular Properties

Compound Name3-(4-bromo-2-chloro-5-methylphenyl)bicyclo[3.1.0]hexane
PubChem CID169256707
Molecular FormulaC13H14BrCl
Molecular Weight285.61 g/mol
Exact Mass284.00
IUPAC Name3-(4-bromo-2-chloro-5-methylphenyl)bicyclo[3.1.0]hexane
SMILESCc1cc(C2CC3CC3C2)c(Cl)cc1Br
InChIInChI=1S/C13H14BrCl/c1-7-2-11(13(15)6-12(7)14)10-4-8-3-9(8)5-10/h2,6,8-10H,3-5H2,1H3
InChIKeyJYHCRLYMZFREEP-UHFFFAOYSA-N
XLogP4.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.61
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-2-chloro-5-methylphenyl)bicyclo[3.1.0]hexane?
The IUPAC name of 3-(4-bromo-2-chloro-5-methylphenyl)bicyclo[3.1.0]hexane (CID 169256707) is 3-(4-bromo-2-chloro-5-methylphenyl)bicyclo[3.1.0]hexane.
What is the SMILES notation for 3-(4-bromo-2-chloro-5-methylphenyl)bicyclo[3.1.0]hexane?
The canonical SMILES for 3-(4-bromo-2-chloro-5-methylphenyl)bicyclo[3.1.0]hexane is Cc1cc(C2CC3CC3C2)c(Cl)cc1Br.
What is the InChIKey of 3-(4-bromo-2-chloro-5-methylphenyl)bicyclo[3.1.0]hexane?
The InChIKey is JYHCRLYMZFREEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrCl/c1-7-2-11(13(15)6-12(7)14)10-4-8-3-9(8)5-10/h2,6,8-10H,3-5H2,1H3.
What are the key properties of 3-(4-bromo-2-chloro-5-methylphenyl)bicyclo[3.1.0]hexane?
3-(4-bromo-2-chloro-5-methylphenyl)bicyclo[3.1.0]hexane has a molecular weight of 285.61 g/mol, XLogP of 4.92, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-2-chloro-5-methylphenyl)bicyclo[3.1.0]hexane is sourced from PubChem (CID 169256707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).