1,6-dimethoxy-2,7-dimethylnaphthalene

C14H16O2 — CID 146605331

IUPAC1,6-dimethoxy-2,7-dimethylnaphthalene
SMILESCOc1cc2ccc(C)c(OC)c2cc1C
InChIInChI=1S/C14H16O2/c1-9-5-6-11-8-13(15-3)10(2)7-12(11)14(9)16-4/h5-8H,1-4H3
InChIKeyIYWJCSQVAGXSOH-UHFFFAOYSA-N
MW216.28 g/mol
LogP3.47
Rot. Bonds2

About 1,6-dimethoxy-2,7-dimethylnaphthalene

1,6-dimethoxy-2,7-dimethylnaphthalene (PubChem CID 146605331) has the molecular formula C14H16O2 and a molecular weight of 216.28 g/mol. Its IUPAC name is 1,6-dimethoxy-2,7-dimethylnaphthalene.

Molecular Properties

Compound Name1,6-dimethoxy-2,7-dimethylnaphthalene
PubChem CID146605331
Molecular FormulaC14H16O2
Molecular Weight216.28 g/mol
Exact Mass216.12
IUPAC Name1,6-dimethoxy-2,7-dimethylnaphthalene
SMILESCOc1cc2ccc(C)c(OC)c2cc1C
InChIInChI=1S/C14H16O2/c1-9-5-6-11-8-13(15-3)10(2)7-12(11)14(9)16-4/h5-8H,1-4H3
InChIKeyIYWJCSQVAGXSOH-UHFFFAOYSA-N
XLogP3.47
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,6-dimethoxy-2,7-dimethylnaphthalene?
The IUPAC name of 1,6-dimethoxy-2,7-dimethylnaphthalene (CID 146605331) is 1,6-dimethoxy-2,7-dimethylnaphthalene.
What is the SMILES notation for 1,6-dimethoxy-2,7-dimethylnaphthalene?
The canonical SMILES for 1,6-dimethoxy-2,7-dimethylnaphthalene is COc1cc2ccc(C)c(OC)c2cc1C.
What is the InChIKey of 1,6-dimethoxy-2,7-dimethylnaphthalene?
The InChIKey is IYWJCSQVAGXSOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O2/c1-9-5-6-11-8-13(15-3)10(2)7-12(11)14(9)16-4/h5-8H,1-4H3.
What are the key properties of 1,6-dimethoxy-2,7-dimethylnaphthalene?
1,6-dimethoxy-2,7-dimethylnaphthalene has a molecular weight of 216.28 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethoxy-2,7-dimethylnaphthalene is sourced from PubChem (CID 146605331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).