1-ethyl-7-(trideuteriomethoxy)naphthalene

C13H14O — CID 59140735

IUPAC1-ethyl-7-(trideuteriomethoxy)naphthalene
SMILES[2H]C([2H])([2H])Oc1ccc2cccc(CC)c2c1
InChIInChI=1S/C13H14O/c1-3-10-5-4-6-11-7-8-12(14-2)9-13(10)11/h4-9H,3H2,1-2H3/i2D3
InChIKeyIZOJENZMNYQGIR-BMSJAHLVSA-N
MW189.27 g/mol
LogP3.41
Rot. Bonds3

About 1-ethyl-7-(trideuteriomethoxy)naphthalene

1-ethyl-7-(trideuteriomethoxy)naphthalene (PubChem CID 59140735) has the molecular formula C13H14O and a molecular weight of 189.27 g/mol. Its IUPAC name is 1-ethyl-7-(trideuteriomethoxy)naphthalene.

Molecular Properties

Compound Name1-ethyl-7-(trideuteriomethoxy)naphthalene
PubChem CID59140735
Molecular FormulaC13H14O
Molecular Weight189.27 g/mol
Exact Mass189.12
IUPAC Name1-ethyl-7-(trideuteriomethoxy)naphthalene
SMILES[2H]C([2H])([2H])Oc1ccc2cccc(CC)c2c1
InChIInChI=1S/C13H14O/c1-3-10-5-4-6-11-7-8-12(14-2)9-13(10)11/h4-9H,3H2,1-2H3/i2D3
InChIKeyIZOJENZMNYQGIR-BMSJAHLVSA-N
XLogP3.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.27
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-7-(trideuteriomethoxy)naphthalene?
The IUPAC name of 1-ethyl-7-(trideuteriomethoxy)naphthalene (CID 59140735) is 1-ethyl-7-(trideuteriomethoxy)naphthalene.
What is the SMILES notation for 1-ethyl-7-(trideuteriomethoxy)naphthalene?
The canonical SMILES for 1-ethyl-7-(trideuteriomethoxy)naphthalene is [2H]C([2H])([2H])Oc1ccc2cccc(CC)c2c1.
What is the InChIKey of 1-ethyl-7-(trideuteriomethoxy)naphthalene?
The InChIKey is IZOJENZMNYQGIR-BMSJAHLVSA-N. The full InChI is InChI=1S/C13H14O/c1-3-10-5-4-6-11-7-8-12(14-2)9-13(10)11/h4-9H,3H2,1-2H3/i2D3.
What are the key properties of 1-ethyl-7-(trideuteriomethoxy)naphthalene?
1-ethyl-7-(trideuteriomethoxy)naphthalene has a molecular weight of 189.27 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-7-(trideuteriomethoxy)naphthalene is sourced from PubChem (CID 59140735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).