1,2-dimethylnaphthalene

C12H12 — CID 11317

IUPAC1,2-dimethylnaphthalene
SMILESCc1ccc2ccccc2c1C
InChIInChI=1S/C12H12/c1-9-7-8-11-5-3-4-6-12(11)10(9)2/h3-8H,1-2H3
InChIKeyQNLZIZAQLLYXTC-UHFFFAOYSA-N
MW156.23 g/mol
LogP3.46
Rot. Bonds

About 1,2-dimethylnaphthalene

1,2-dimethylnaphthalene (PubChem CID 11317) has the molecular formula C12H12 and a molecular weight of 156.23 g/mol. Its IUPAC name is 1,2-dimethylnaphthalene.

Molecular Properties

Compound Name1,2-dimethylnaphthalene
PubChem CID11317
Molecular FormulaC12H12
Molecular Weight156.23 g/mol
Exact Mass156.09
IUPAC Name1,2-dimethylnaphthalene
SMILESCc1ccc2ccccc2c1C
InChIInChI=1S/C12H12/c1-9-7-8-11-5-3-4-6-12(11)10(9)2/h3-8H,1-2H3
InChIKeyQNLZIZAQLLYXTC-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

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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(ghi)perylene
CID 9117
Benzo(E)Pyrene
CID 9128
Acenaphthylene
CID 9161

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethylnaphthalene?
The IUPAC name of 1,2-dimethylnaphthalene (CID 11317) is 1,2-dimethylnaphthalene.
What is the SMILES notation for 1,2-dimethylnaphthalene?
The canonical SMILES for 1,2-dimethylnaphthalene is Cc1ccc2ccccc2c1C.
What is the InChIKey of 1,2-dimethylnaphthalene?
The InChIKey is QNLZIZAQLLYXTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12/c1-9-7-8-11-5-3-4-6-12(11)10(9)2/h3-8H,1-2H3.
What are the key properties of 1,2-dimethylnaphthalene?
1,2-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 1,2-dimethylnaphthalene is sourced from PubChem (CID 11317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).