2-bromo-1,6-dimethylnaphthalene

C12H11Br — CID 115057574

IUPAC2-bromo-1,6-dimethylnaphthalene
SMILESCc1ccc2c(C)c(Br)ccc2c1
InChIInChI=1S/C12H11Br/c1-8-3-5-11-9(2)12(13)6-4-10(11)7-8/h3-7H,1-2H3
InChIKeyVEBSFMMXDZKTDZ-UHFFFAOYSA-N
MW235.12 g/mol
LogP4.22
Rot. Bonds

About 2-bromo-1,6-dimethylnaphthalene

2-bromo-1,6-dimethylnaphthalene (PubChem CID 115057574) has the molecular formula C12H11Br and a molecular weight of 235.12 g/mol. Its IUPAC name is 2-bromo-1,6-dimethylnaphthalene.

Molecular Properties

Compound Name2-bromo-1,6-dimethylnaphthalene
PubChem CID115057574
Molecular FormulaC12H11Br
Molecular Weight235.12 g/mol
Exact Mass234.00
IUPAC Name2-bromo-1,6-dimethylnaphthalene
SMILESCc1ccc2c(C)c(Br)ccc2c1
InChIInChI=1S/C12H11Br/c1-8-3-5-11-9(2)12(13)6-4-10(11)7-8/h3-7H,1-2H3
InChIKeyVEBSFMMXDZKTDZ-UHFFFAOYSA-N
XLogP4.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.12
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,7-dimethylphenanthrene;ethane
CID 91503011
6-bromo-2-methylphenanthrene
CID 15159136
1-bromo-2-iodo-6-methylnaphthalene
CID 142890089
2,9-dimethylnaphtho[1,2-b]phenanthrene;3,10-dimethylnaphtho[1,2-b]phenanthrene
CID 164992833
9-methylanthracene;2-methylnaphthalene
CID 159699144
2,6-dimethylanthracene;bis(2,9-dimethylanthracene);bis(2,10-dimethylanthracene)
CID 159448602
1,2,3,4-tetramethylbenzene;bis(1,2,3,5-tetramethylbenzene);1,2,5,6-tetramethylnaphthalene;bis(1,2,4-trimethylbenzene);bis(1,2,6-trimethylnaphthalene)
CID 158674501
2,9-dimethylnaphtho[1,2-b]phenanthrene
CID 58426646
2,10-dimethylanthracene;formaldehyde
CID 169199000
2,9-dimethylpentacene
CID 11460950
1-fluoro-2,7-dimethylphenanthrene
CID 21032854
2-ethyl-7-methylphenanthrene
CID 59758331

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1,6-dimethylnaphthalene?
The IUPAC name of 2-bromo-1,6-dimethylnaphthalene (CID 115057574) is 2-bromo-1,6-dimethylnaphthalene.
What is the SMILES notation for 2-bromo-1,6-dimethylnaphthalene?
The canonical SMILES for 2-bromo-1,6-dimethylnaphthalene is Cc1ccc2c(C)c(Br)ccc2c1.
What is the InChIKey of 2-bromo-1,6-dimethylnaphthalene?
The InChIKey is VEBSFMMXDZKTDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Br/c1-8-3-5-11-9(2)12(13)6-4-10(11)7-8/h3-7H,1-2H3.
What are the key properties of 2-bromo-1,6-dimethylnaphthalene?
2-bromo-1,6-dimethylnaphthalene has a molecular weight of 235.12 g/mol, XLogP of 4.22, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1,6-dimethylnaphthalene is sourced from PubChem (CID 115057574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).