2-methoxy-1,4,5,8-tetrahydronaphthalene

C11H14O — CID 14842106

IUPAC2-methoxy-1,4,5,8-tetrahydronaphthalene
SMILESCOC1=CCC2=C(CC=CC2)C1
InChIInChI=1S/C11H14O/c1-12-11-7-6-9-4-2-3-5-10(9)8-11/h2-3,7H,4-6,8H2,1H3
InChIKeyDUGNQPJNJSFOIM-UHFFFAOYSA-N
MW162.23 g/mol
LogP2.96
Rot. Bonds1

About 2-methoxy-1,4,5,8-tetrahydronaphthalene

2-methoxy-1,4,5,8-tetrahydronaphthalene (PubChem CID 14842106) has the molecular formula C11H14O and a molecular weight of 162.23 g/mol. Its IUPAC name is 2-methoxy-1,4,5,8-tetrahydronaphthalene.

Molecular Properties

Compound Name2-methoxy-1,4,5,8-tetrahydronaphthalene
PubChem CID14842106
Molecular FormulaC11H14O
Molecular Weight162.23 g/mol
Exact Mass162.10
IUPAC Name2-methoxy-1,4,5,8-tetrahydronaphthalene
SMILESCOC1=CCC2=C(CC=CC2)C1
InChIInChI=1S/C11H14O/c1-12-11-7-6-9-4-2-3-5-10(9)8-11/h2-3,7H,4-6,8H2,1H3
InChIKeyDUGNQPJNJSFOIM-UHFFFAOYSA-N
XLogP2.96
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.23
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1,4,5,8-tetrahydronaphthalene?
The IUPAC name of 2-methoxy-1,4,5,8-tetrahydronaphthalene (CID 14842106) is 2-methoxy-1,4,5,8-tetrahydronaphthalene.
What is the SMILES notation for 2-methoxy-1,4,5,8-tetrahydronaphthalene?
The canonical SMILES for 2-methoxy-1,4,5,8-tetrahydronaphthalene is COC1=CCC2=C(CC=CC2)C1.
What is the InChIKey of 2-methoxy-1,4,5,8-tetrahydronaphthalene?
The InChIKey is DUGNQPJNJSFOIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O/c1-12-11-7-6-9-4-2-3-5-10(9)8-11/h2-3,7H,4-6,8H2,1H3.
What are the key properties of 2-methoxy-1,4,5,8-tetrahydronaphthalene?
2-methoxy-1,4,5,8-tetrahydronaphthalene has a molecular weight of 162.23 g/mol, XLogP of 2.96, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1,4,5,8-tetrahydronaphthalene is sourced from PubChem (CID 14842106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).