2,6-dimethylnaphthalene

C12H12 — CID 11387

IUPAC2,6-dimethylnaphthalene
SMILESCc1ccc2cc(C)ccc2c1
InChIInChI=1S/C12H12/c1-9-3-5-12-8-10(2)4-6-11(12)7-9/h3-8H,1-2H3
InChIKeyYGYNBBAUIYTWBF-UHFFFAOYSA-N
MW156.23 g/mol
LogP3.46
Rot. Bonds

About 2,6-dimethylnaphthalene

2,6-dimethylnaphthalene (PubChem CID 11387) has the molecular formula C12H12 and a molecular weight of 156.23 g/mol. Its IUPAC name is 2,6-dimethylnaphthalene.

Molecular Properties

Compound Name2,6-dimethylnaphthalene
PubChem CID11387
Molecular FormulaC12H12
Molecular Weight156.23 g/mol
Exact Mass156.09
IUPAC Name2,6-dimethylnaphthalene
SMILESCc1ccc2cc(C)ccc2c1
InChIInChI=1S/C12H12/c1-9-3-5-12-8-10(2)4-6-11(12)7-9/h3-8H,1-2H3
InChIKeyYGYNBBAUIYTWBF-UHFFFAOYSA-N
XLogP3.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2,6-dimethylnaphthalene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Naphthalene
CID 931
Benzo[a]pyrene
CID 2336
Anthracene
CID 8418
Phenanthrene
CID 995
Pyrene
CID 31423
1-Methylnaphthalene
CID 7002
Tetralin
CID 8404
1,2,4-Trimethylbenzene
CID 7247
BENZ(a)ANTHRACENE
CID 5954
Benzo(E)Pyrene
CID 9128
Acenaphthylene
CID 9161
Chrysene
CID 9171

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethylnaphthalene?
The IUPAC name of 2,6-dimethylnaphthalene (CID 11387) is 2,6-dimethylnaphthalene.
What is the SMILES notation for 2,6-dimethylnaphthalene?
The canonical SMILES for 2,6-dimethylnaphthalene is Cc1ccc2cc(C)ccc2c1.
What is the InChIKey of 2,6-dimethylnaphthalene?
The InChIKey is YGYNBBAUIYTWBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12/c1-9-3-5-12-8-10(2)4-6-11(12)7-9/h3-8H,1-2H3.
What are the key properties of 2,6-dimethylnaphthalene?
2,6-dimethylnaphthalene has a molecular weight of 156.23 g/mol, XLogP of 3.46, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethylnaphthalene is sourced from PubChem (CID 11387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).