3-methoxy-1,2,7,8-tetrahydronaphthalene

C11H14O — CID 57128712

IUPAC3-methoxy-1,2,7,8-tetrahydronaphthalene
SMILESCOC1=CC2=C(CCC=C2)CC1
InChIInChI=1S/C11H14O/c1-12-11-7-6-9-4-2-3-5-10(9)8-11/h3,5,8H,2,4,6-7H2,1H3
InChIKeyMIBIVQKRMCVULN-UHFFFAOYSA-N
MW162.23 g/mol
LogP2.96
Rot. Bonds1

About 3-methoxy-1,2,7,8-tetrahydronaphthalene

3-methoxy-1,2,7,8-tetrahydronaphthalene (PubChem CID 57128712) has the molecular formula C11H14O and a molecular weight of 162.23 g/mol. Its IUPAC name is 3-methoxy-1,2,7,8-tetrahydronaphthalene.

Molecular Properties

Compound Name3-methoxy-1,2,7,8-tetrahydronaphthalene
PubChem CID57128712
Molecular FormulaC11H14O
Molecular Weight162.23 g/mol
Exact Mass162.10
IUPAC Name3-methoxy-1,2,7,8-tetrahydronaphthalene
SMILESCOC1=CC2=C(CCC=C2)CC1
InChIInChI=1S/C11H14O/c1-12-11-7-6-9-4-2-3-5-10(9)8-11/h3,5,8H,2,4,6-7H2,1H3
InChIKeyMIBIVQKRMCVULN-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

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1,2,7,8-tetrahydronaphthalene?
The IUPAC name of 3-methoxy-1,2,7,8-tetrahydronaphthalene (CID 57128712) is 3-methoxy-1,2,7,8-tetrahydronaphthalene.
What is the SMILES notation for 3-methoxy-1,2,7,8-tetrahydronaphthalene?
The canonical SMILES for 3-methoxy-1,2,7,8-tetrahydronaphthalene is COC1=CC2=C(CCC=C2)CC1.
What is the InChIKey of 3-methoxy-1,2,7,8-tetrahydronaphthalene?
The InChIKey is MIBIVQKRMCVULN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O/c1-12-11-7-6-9-4-2-3-5-10(9)8-11/h3,5,8H,2,4,6-7H2,1H3.
What are the key properties of 3-methoxy-1,2,7,8-tetrahydronaphthalene?
3-methoxy-1,2,7,8-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 3-methoxy-1,2,7,8-tetrahydronaphthalene is sourced from PubChem (CID 57128712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).