5,6,8-trideuterio-7-methoxy-1,2,3,4-tetrahydronaphthalene

C11H14O — CID 89201048

IUPAC5,6,8-trideuterio-7-methoxy-1,2,3,4-tetrahydronaphthalene
SMILES[2H]c1c([2H])c(OC)c([2H])c2c1CCCC2
InChIInChI=1S/C11H14O/c1-12-11-7-6-9-4-2-3-5-10(9)8-11/h6-8H,2-5H2,1H3/i6D,7D,8D
InChIKeySUFDFKRJYKNTFH-AYBVGXBASA-N
MW165.25 g/mol
LogP2.57
Rot. Bonds1

About 5,6,8-trideuterio-7-methoxy-1,2,3,4-tetrahydronaphthalene

5,6,8-trideuterio-7-methoxy-1,2,3,4-tetrahydronaphthalene (PubChem CID 89201048) has the molecular formula C11H14O and a molecular weight of 165.25 g/mol. Its IUPAC name is 5,6,8-trideuterio-7-methoxy-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name5,6,8-trideuterio-7-methoxy-1,2,3,4-tetrahydronaphthalene
PubChem CID89201048
Molecular FormulaC11H14O
Molecular Weight165.25 g/mol
Exact Mass165.12
IUPAC Name5,6,8-trideuterio-7-methoxy-1,2,3,4-tetrahydronaphthalene
SMILES[2H]c1c([2H])c(OC)c([2H])c2c1CCCC2
InChIInChI=1S/C11H14O/c1-12-11-7-6-9-4-2-3-5-10(9)8-11/h6-8H,2-5H2,1H3/i6D,7D,8D
InChIKeySUFDFKRJYKNTFH-AYBVGXBASA-N
XLogP2.57
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.25
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,6,8-trideuterio-7-methoxy-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 5,6,8-trideuterio-7-methoxy-1,2,3,4-tetrahydronaphthalene (CID 89201048) is 5,6,8-trideuterio-7-methoxy-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 5,6,8-trideuterio-7-methoxy-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 5,6,8-trideuterio-7-methoxy-1,2,3,4-tetrahydronaphthalene is [2H]c1c([2H])c(OC)c([2H])c2c1CCCC2.
What is the InChIKey of 5,6,8-trideuterio-7-methoxy-1,2,3,4-tetrahydronaphthalene?
The InChIKey is SUFDFKRJYKNTFH-AYBVGXBASA-N. The full InChI is InChI=1S/C11H14O/c1-12-11-7-6-9-4-2-3-5-10(9)8-11/h6-8H,2-5H2,1H3/i6D,7D,8D.
What are the key properties of 5,6,8-trideuterio-7-methoxy-1,2,3,4-tetrahydronaphthalene?
5,6,8-trideuterio-7-methoxy-1,2,3,4-tetrahydronaphthalene has a molecular weight of 165.25 g/mol, XLogP of 2.57, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,8-trideuterio-7-methoxy-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 89201048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).