2-(trideuteriomethoxy)naphthalene-1-carbaldehyde

C12H10O2 — CID 163342997

IUPAC2-(trideuteriomethoxy)naphthalene-1-carbaldehyde
SMILES[2H]C([2H])([2H])Oc1ccc2ccccc2c1C=O
InChIInChI=1S/C12H10O2/c1-14-12-7-6-9-4-2-3-5-10(9)11(12)8-13/h2-8H,1H3/i1D3
InChIKeyYIQGLTKAOHRZOL-FIBGUPNXSA-N
MW189.23 g/mol
LogP2.66
Rot. Bonds3

About 2-(trideuteriomethoxy)naphthalene-1-carbaldehyde

2-(trideuteriomethoxy)naphthalene-1-carbaldehyde (PubChem CID 163342997) has the molecular formula C12H10O2 and a molecular weight of 189.23 g/mol. Its IUPAC name is 2-(trideuteriomethoxy)naphthalene-1-carbaldehyde.

Molecular Properties

Compound Name2-(trideuteriomethoxy)naphthalene-1-carbaldehyde
PubChem CID163342997
Molecular FormulaC12H10O2
Molecular Weight189.23 g/mol
Exact Mass189.09
IUPAC Name2-(trideuteriomethoxy)naphthalene-1-carbaldehyde
SMILES[2H]C([2H])([2H])Oc1ccc2ccccc2c1C=O
InChIInChI=1S/C12H10O2/c1-14-12-7-6-9-4-2-3-5-10(9)11(12)8-13/h2-8H,1H3/i1D3
InChIKeyYIQGLTKAOHRZOL-FIBGUPNXSA-N
XLogP2.66
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.23
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1-formylnaphthalen-2-yl) acetate
CID 2063426
2-heptoxynaphthalene-1-carbaldehyde
CID 43505602
2-methylnaphthalene-1-carbaldehyde;sulfane
CID 157328712
2-(3-methylbut-2-enoxy)naphthalene-1-carbaldehyde
CID 10823964
2-(2-methylprop-2-enoxy)naphthalene-1-carbaldehyde
CID 4737132
2-(2-hydroxypropoxy)naphthalene-1-carbaldehyde
CID 60884344
(1-formylnaphthalen-2-yl) 4-methoxybenzoate
CID 4778907
2-(3-methylsulfanylpropoxy)naphthalene-1-carbaldehyde
CID 115659116
2-(2-phenylethoxy)naphthalene-1-carbaldehyde
CID 22687262
ethane;2-ethylnaphthalene-1-carbaldehyde
CID 91261169
2-(1-formylnaphthalen-2-yl)oxybutanamide
CID 62901202
2-(1,3-thiazol-4-ylmethoxy)naphthalene-1-carbaldehyde
CID 43505591

Frequently Asked Questions

What is the IUPAC name of 2-(trideuteriomethoxy)naphthalene-1-carbaldehyde?
The IUPAC name of 2-(trideuteriomethoxy)naphthalene-1-carbaldehyde (CID 163342997) is 2-(trideuteriomethoxy)naphthalene-1-carbaldehyde.
What is the SMILES notation for 2-(trideuteriomethoxy)naphthalene-1-carbaldehyde?
The canonical SMILES for 2-(trideuteriomethoxy)naphthalene-1-carbaldehyde is [2H]C([2H])([2H])Oc1ccc2ccccc2c1C=O.
What is the InChIKey of 2-(trideuteriomethoxy)naphthalene-1-carbaldehyde?
The InChIKey is YIQGLTKAOHRZOL-FIBGUPNXSA-N. The full InChI is InChI=1S/C12H10O2/c1-14-12-7-6-9-4-2-3-5-10(9)11(12)8-13/h2-8H,1H3/i1D3.
What are the key properties of 2-(trideuteriomethoxy)naphthalene-1-carbaldehyde?
2-(trideuteriomethoxy)naphthalene-1-carbaldehyde has a molecular weight of 189.23 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trideuteriomethoxy)naphthalene-1-carbaldehyde is sourced from PubChem (CID 163342997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).