8-chloro-6-methylbicyclo[3.2.1]octa-1(8),2,4-triene

C9H9Cl — CID 54053065

IUPAC8-chloro-6-methylbicyclo[3.2.1]octa-1(8),2,4-triene
SMILESCC1Cc2cccc1c2Cl
InChIInChI=1S/C9H9Cl/c1-6-5-7-3-2-4-8(6)9(7)10/h2-4,6H,5H2,1H3
InChIKeyNXZLGGJXJAJBRW-UHFFFAOYSA-N
MW152.62 g/mol
LogP3.00
Rot. Bonds

About 8-chloro-6-methylbicyclo[3.2.1]octa-1(8),2,4-triene

8-chloro-6-methylbicyclo[3.2.1]octa-1(8),2,4-triene (PubChem CID 54053065) has the molecular formula C9H9Cl and a molecular weight of 152.62 g/mol. Its IUPAC name is 8-chloro-6-methylbicyclo[3.2.1]octa-1(8),2,4-triene.

Molecular Properties

Compound Name8-chloro-6-methylbicyclo[3.2.1]octa-1(8),2,4-triene
PubChem CID54053065
Molecular FormulaC9H9Cl
Molecular Weight152.62 g/mol
Exact Mass152.04
IUPAC Name8-chloro-6-methylbicyclo[3.2.1]octa-1(8),2,4-triene
SMILESCC1Cc2cccc1c2Cl
InChIInChI=1S/C9H9Cl/c1-6-5-7-3-2-4-8(6)9(7)10/h2-4,6H,5H2,1H3
InChIKeyNXZLGGJXJAJBRW-UHFFFAOYSA-N
XLogP3.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.62
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-6-methylbicyclo[3.2.1]octa-1(8),2,4-triene?
The IUPAC name of 8-chloro-6-methylbicyclo[3.2.1]octa-1(8),2,4-triene (CID 54053065) is 8-chloro-6-methylbicyclo[3.2.1]octa-1(8),2,4-triene.
What is the SMILES notation for 8-chloro-6-methylbicyclo[3.2.1]octa-1(8),2,4-triene?
The canonical SMILES for 8-chloro-6-methylbicyclo[3.2.1]octa-1(8),2,4-triene is CC1Cc2cccc1c2Cl.
What is the InChIKey of 8-chloro-6-methylbicyclo[3.2.1]octa-1(8),2,4-triene?
The InChIKey is NXZLGGJXJAJBRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl/c1-6-5-7-3-2-4-8(6)9(7)10/h2-4,6H,5H2,1H3.
What are the key properties of 8-chloro-6-methylbicyclo[3.2.1]octa-1(8),2,4-triene?
8-chloro-6-methylbicyclo[3.2.1]octa-1(8),2,4-triene has a molecular weight of 152.62 g/mol, XLogP of 3.00, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-6-methylbicyclo[3.2.1]octa-1(8),2,4-triene is sourced from PubChem (CID 54053065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).