1-ethyl-6-methoxynaphthalene

C13H14O — CID 5148282

IUPAC1-ethyl-6-methoxynaphthalene
SMILESCCc1cccc2cc(OC)ccc12
InChIInChI=1S/C13H14O/c1-3-10-5-4-6-11-9-12(14-2)7-8-13(10)11/h4-9H,3H2,1-2H3
InChIKeyZWHXIACBBBVCQL-UHFFFAOYSA-N
MW186.25 g/mol
LogP3.41
Rot. Bonds2

About 1-ethyl-6-methoxynaphthalene

1-ethyl-6-methoxynaphthalene (PubChem CID 5148282) has the molecular formula C13H14O and a molecular weight of 186.25 g/mol. Its IUPAC name is 1-ethyl-6-methoxynaphthalene.

Molecular Properties

Compound Name1-ethyl-6-methoxynaphthalene
PubChem CID5148282
Molecular FormulaC13H14O
Molecular Weight186.25 g/mol
Exact Mass186.10
IUPAC Name1-ethyl-6-methoxynaphthalene
SMILESCCc1cccc2cc(OC)ccc12
InChIInChI=1S/C13H14O/c1-3-10-5-4-6-11-9-12(14-2)7-8-13(10)11/h4-9H,3H2,1-2H3
InChIKeyZWHXIACBBBVCQL-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 1-ethyl-6-methoxynaphthalene?
The IUPAC name of 1-ethyl-6-methoxynaphthalene (CID 5148282) is 1-ethyl-6-methoxynaphthalene.
What is the SMILES notation for 1-ethyl-6-methoxynaphthalene?
The canonical SMILES for 1-ethyl-6-methoxynaphthalene is CCc1cccc2cc(OC)ccc12.
What is the InChIKey of 1-ethyl-6-methoxynaphthalene?
The InChIKey is ZWHXIACBBBVCQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O/c1-3-10-5-4-6-11-9-12(14-2)7-8-13(10)11/h4-9H,3H2,1-2H3.
What are the key properties of 1-ethyl-6-methoxynaphthalene?
1-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 1-ethyl-6-methoxynaphthalene is sourced from PubChem (CID 5148282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).