7-bromo-5-methyl-1,2,3,4,5,6-hexahydronaphthalene

C11H15Br — CID 145118764

IUPAC7-bromo-5-methyl-1,2,3,4,5,6-hexahydronaphthalene
SMILESCC1CC(Br)=CC2=C1CCCC2
InChIInChI=1S/C11H15Br/c1-8-6-10(12)7-9-4-2-3-5-11(8)9/h7-8H,2-6H2,1H3
InChIKeyLPILIDQQKMBFPD-UHFFFAOYSA-N
MW227.14 g/mol
LogP4.18
Rot. Bonds

About 7-bromo-5-methyl-1,2,3,4,5,6-hexahydronaphthalene

7-bromo-5-methyl-1,2,3,4,5,6-hexahydronaphthalene (PubChem CID 145118764) has the molecular formula C11H15Br and a molecular weight of 227.14 g/mol. Its IUPAC name is 7-bromo-5-methyl-1,2,3,4,5,6-hexahydronaphthalene.

Molecular Properties

Compound Name7-bromo-5-methyl-1,2,3,4,5,6-hexahydronaphthalene
PubChem CID145118764
Molecular FormulaC11H15Br
Molecular Weight227.14 g/mol
Exact Mass226.04
IUPAC Name7-bromo-5-methyl-1,2,3,4,5,6-hexahydronaphthalene
SMILESCC1CC(Br)=CC2=C1CCCC2
InChIInChI=1S/C11H15Br/c1-8-6-10(12)7-9-4-2-3-5-11(8)9/h7-8H,2-6H2,1H3
InChIKeyLPILIDQQKMBFPD-UHFFFAOYSA-N
XLogP4.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.14
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-5-methyl-1,2,3,4,5,6-hexahydronaphthalene?
The IUPAC name of 7-bromo-5-methyl-1,2,3,4,5,6-hexahydronaphthalene (CID 145118764) is 7-bromo-5-methyl-1,2,3,4,5,6-hexahydronaphthalene.
What is the SMILES notation for 7-bromo-5-methyl-1,2,3,4,5,6-hexahydronaphthalene?
The canonical SMILES for 7-bromo-5-methyl-1,2,3,4,5,6-hexahydronaphthalene is CC1CC(Br)=CC2=C1CCCC2.
What is the InChIKey of 7-bromo-5-methyl-1,2,3,4,5,6-hexahydronaphthalene?
The InChIKey is LPILIDQQKMBFPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Br/c1-8-6-10(12)7-9-4-2-3-5-11(8)9/h7-8H,2-6H2,1H3.
What are the key properties of 7-bromo-5-methyl-1,2,3,4,5,6-hexahydronaphthalene?
7-bromo-5-methyl-1,2,3,4,5,6-hexahydronaphthalene has a molecular weight of 227.14 g/mol, XLogP of 4.18, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-5-methyl-1,2,3,4,5,6-hexahydronaphthalene is sourced from PubChem (CID 145118764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).