1-methoxy-1,2,3,4-tetrahydronaphthalene

C11H14O — CID 582638

IUPAC1-methoxy-1,2,3,4-tetrahydronaphthalene
SMILESCOC1CCCc2ccccc21
InChIInChI=1S/C11H14O/c1-12-11-8-4-6-9-5-2-3-7-10(9)11/h2-3,5,7,11H,4,6,8H2,1H3
InChIKeyIBRIMMDNSPFZMB-UHFFFAOYSA-N
MW162.23 g/mol
LogP2.71
Rot. Bonds1

About 1-methoxy-1,2,3,4-tetrahydronaphthalene

1-methoxy-1,2,3,4-tetrahydronaphthalene (PubChem CID 582638) has the molecular formula C11H14O and a molecular weight of 162.23 g/mol. Its IUPAC name is 1-methoxy-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name1-methoxy-1,2,3,4-tetrahydronaphthalene
PubChem CID582638
Molecular FormulaC11H14O
Molecular Weight162.23 g/mol
Exact Mass162.10
IUPAC Name1-methoxy-1,2,3,4-tetrahydronaphthalene
SMILESCOC1CCCc2ccccc21
InChIInChI=1S/C11H14O/c1-12-11-8-4-6-9-5-2-3-7-10(9)11/h2-3,5,7,11H,4,6,8H2,1H3
InChIKeyIBRIMMDNSPFZMB-UHFFFAOYSA-N
XLogP2.71
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 ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 1-methoxy-1,2,3,4-tetrahydronaphthalene (CID 582638) is 1-methoxy-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 1-methoxy-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 1-methoxy-1,2,3,4-tetrahydronaphthalene is COC1CCCc2ccccc21.
What is the InChIKey of 1-methoxy-1,2,3,4-tetrahydronaphthalene?
The InChIKey is IBRIMMDNSPFZMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O/c1-12-11-8-4-6-9-5-2-3-7-10(9)11/h2-3,5,7,11H,4,6,8H2,1H3.
What are the key properties of 1-methoxy-1,2,3,4-tetrahydronaphthalene?
1-methoxy-1,2,3,4-tetrahydronaphthalene has a molecular weight of 162.23 g/mol, XLogP of 2.71, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 582638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).