1,3-dimethylnaphthalene

C12H12 — CID 11327

IUPAC1,3-dimethylnaphthalene
SMILESCc1cc(C)c2ccccc2c1
InChIInChI=1S/C12H12/c1-9-7-10(2)12-6-4-3-5-11(12)8-9/h3-8H,1-2H3
InChIKeyQHJMFSMPSZREIF-UHFFFAOYSA-N
MW156.23 g/mol
LogP3.46
Rot. Bonds

About 1,3-dimethylnaphthalene

1,3-dimethylnaphthalene (PubChem CID 11327) has the molecular formula C12H12 and a molecular weight of 156.23 g/mol. Its IUPAC name is 1,3-dimethylnaphthalene.

Molecular Properties

Compound Name1,3-dimethylnaphthalene
PubChem CID11327
Molecular FormulaC12H12
Molecular Weight156.23 g/mol
Exact Mass156.09
IUPAC Name1,3-dimethylnaphthalene
SMILESCc1cc(C)c2ccccc2c1
InChIInChI=1S/C12H12/c1-9-7-10(2)12-6-4-3-5-11(12)8-9/h3-8H,1-2H3
InChIKeyQHJMFSMPSZREIF-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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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethylnaphthalene?
The IUPAC name of 1,3-dimethylnaphthalene (CID 11327) is 1,3-dimethylnaphthalene.
What is the SMILES notation for 1,3-dimethylnaphthalene?
The canonical SMILES for 1,3-dimethylnaphthalene is Cc1cc(C)c2ccccc2c1.
What is the InChIKey of 1,3-dimethylnaphthalene?
The InChIKey is QHJMFSMPSZREIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12/c1-9-7-10(2)12-6-4-3-5-11(12)8-9/h3-8H,1-2H3.
What are the key properties of 1,3-dimethylnaphthalene?
1,3-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 1,3-dimethylnaphthalene is sourced from PubChem (CID 11327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).