2-ethyl-6-methoxynaphthalene

C13H14O — CID 11789931

IUPAC2-ethyl-6-methoxynaphthalene
SMILESCCc1ccc2cc(OC)ccc2c1
InChIInChI=1S/C13H14O/c1-3-10-4-5-12-9-13(14-2)7-6-11(12)8-10/h4-9H,3H2,1-2H3
InChIKeyHTNFZFBCAOZBRK-UHFFFAOYSA-N
MW186.25 g/mol
LogP3.41
Rot. Bonds2

About 2-ethyl-6-methoxynaphthalene

2-ethyl-6-methoxynaphthalene (PubChem CID 11789931) has the molecular formula C13H14O and a molecular weight of 186.25 g/mol. Its IUPAC name is 2-ethyl-6-methoxynaphthalene.

Molecular Properties

Compound Name2-ethyl-6-methoxynaphthalene
PubChem CID11789931
Molecular FormulaC13H14O
Molecular Weight186.25 g/mol
Exact Mass186.10
IUPAC Name2-ethyl-6-methoxynaphthalene
SMILESCCc1ccc2cc(OC)ccc2c1
InChIInChI=1S/C13H14O/c1-3-10-4-5-12-9-13(14-2)7-6-11(12)8-10/h4-9H,3H2,1-2H3
InChIKeyHTNFZFBCAOZBRK-UHFFFAOYSA-N
XLogP3.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-methoxynaphthalene?
The IUPAC name of 2-ethyl-6-methoxynaphthalene (CID 11789931) is 2-ethyl-6-methoxynaphthalene.
What is the SMILES notation for 2-ethyl-6-methoxynaphthalene?
The canonical SMILES for 2-ethyl-6-methoxynaphthalene is CCc1ccc2cc(OC)ccc2c1.
What is the InChIKey of 2-ethyl-6-methoxynaphthalene?
The InChIKey is HTNFZFBCAOZBRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O/c1-3-10-4-5-12-9-13(14-2)7-6-11(12)8-10/h4-9H,3H2,1-2H3.
What are the key properties of 2-ethyl-6-methoxynaphthalene?
2-ethyl-6-methoxynaphthalene has a molecular weight of 186.25 g/mol, XLogP of 3.41, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-methoxynaphthalene is sourced from PubChem (CID 11789931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).