1,6,7-trimethylnaphthalene

C13H14 — CID 16732

IUPAC1,6,7-trimethylnaphthalene
SMILESCc1cc2cccc(C)c2cc1C
InChIInChI=1S/C13H14/c1-9-5-4-6-12-7-10(2)11(3)8-13(9)12/h4-8H,1-3H3
InChIKeyJBXULKRNHAQMAS-UHFFFAOYSA-N
MW170.25 g/mol
LogP3.77
Rot. Bonds

About 1,6,7-trimethylnaphthalene

1,6,7-trimethylnaphthalene (PubChem CID 16732) has the molecular formula C13H14 and a molecular weight of 170.25 g/mol. Its IUPAC name is 1,6,7-trimethylnaphthalene.

Molecular Properties

Compound Name1,6,7-trimethylnaphthalene
PubChem CID16732
Molecular FormulaC13H14
Molecular Weight170.25 g/mol
Exact Mass170.11
IUPAC Name1,6,7-trimethylnaphthalene
SMILESCc1cc2cccc(C)c2cc1C
InChIInChI=1S/C13H14/c1-9-5-4-6-12-7-10(2)11(3)8-13(9)12/h4-8H,1-3H3
InChIKeyJBXULKRNHAQMAS-UHFFFAOYSA-N
XLogP3.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,6,7-trimethylnaphthalene?
The IUPAC name of 1,6,7-trimethylnaphthalene (CID 16732) is 1,6,7-trimethylnaphthalene.
What is the SMILES notation for 1,6,7-trimethylnaphthalene?
The canonical SMILES for 1,6,7-trimethylnaphthalene is Cc1cc2cccc(C)c2cc1C.
What is the InChIKey of 1,6,7-trimethylnaphthalene?
The InChIKey is JBXULKRNHAQMAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14/c1-9-5-4-6-12-7-10(2)11(3)8-13(9)12/h4-8H,1-3H3.
What are the key properties of 1,6,7-trimethylnaphthalene?
1,6,7-trimethylnaphthalene has a molecular weight of 170.25 g/mol, XLogP of 3.77, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6,7-trimethylnaphthalene is sourced from PubChem (CID 16732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).