1-methyl-4-(trideuteriomethoxy)naphthalene

C12H12O — CID 101106578

IUPAC1-methyl-4-(trideuteriomethoxy)naphthalene
SMILES[2H]C([2H])([2H])Oc1ccc(C)c2ccccc12
InChIInChI=1S/C12H12O/c1-9-7-8-12(13-2)11-6-4-3-5-10(9)11/h3-8H,1-2H3/i2D3
InChIKeyDUXRFNPXLWUXMT-BMSJAHLVSA-N
MW175.25 g/mol
LogP3.16
Rot. Bonds2

About 1-methyl-4-(trideuteriomethoxy)naphthalene

1-methyl-4-(trideuteriomethoxy)naphthalene (PubChem CID 101106578) has the molecular formula C12H12O and a molecular weight of 175.25 g/mol. Its IUPAC name is 1-methyl-4-(trideuteriomethoxy)naphthalene.

Molecular Properties

Compound Name1-methyl-4-(trideuteriomethoxy)naphthalene
PubChem CID101106578
Molecular FormulaC12H12O
Molecular Weight175.25 g/mol
Exact Mass175.11
IUPAC Name1-methyl-4-(trideuteriomethoxy)naphthalene
SMILES[2H]C([2H])([2H])Oc1ccc(C)c2ccccc12
InChIInChI=1S/C12H12O/c1-9-7-8-12(13-2)11-6-4-3-5-10(9)11/h3-8H,1-2H3/i2D3
InChIKeyDUXRFNPXLWUXMT-BMSJAHLVSA-N
XLogP3.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(1,1-difluoroethoxy)-4-methylnaphthalene
CID 160938661
1-(2-methoxyethoxy)-4-methylnaphthalene
CID 90431362
1-cyclopentyloxy-4-methylnaphthalene
CID 143504942
3-(4-methylnaphthalen-1-yl)oxypropan-1-ol
CID 15349996
9,10-dimethylanthracene;1,4-dimethylnaphthalene;methane
CID 160811650
ethane;1,2,3-trimethoxy-4-methylbenzene
CID 142152701
2-(trideuteriomethoxy)naphthalene-1-carbaldehyde
CID 163342997
2-[(4-methylnaphthalen-1-yl)oxymethyl]aniline
CID 166926347
1,5-dimethylnaphthalene
CID 162159355
1-methyl-4-[4-[(4-methylphenyl)methyl]phenoxy]naphthalene
CID 142960457
[2-[2-bis[(4-methylnaphthalen-1-yl)oxy]phosphanyloxy-5-methylphenyl]-4-methylphenyl] bis(4-methylnaphthalen-1-yl) phosphite;ethane
CID 91235074
2-methoxy-5-(4-methylnaphthalen-1-yl)phenol
CID 53405298

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(trideuteriomethoxy)naphthalene?
The IUPAC name of 1-methyl-4-(trideuteriomethoxy)naphthalene (CID 101106578) is 1-methyl-4-(trideuteriomethoxy)naphthalene.
What is the SMILES notation for 1-methyl-4-(trideuteriomethoxy)naphthalene?
The canonical SMILES for 1-methyl-4-(trideuteriomethoxy)naphthalene is [2H]C([2H])([2H])Oc1ccc(C)c2ccccc12.
What is the InChIKey of 1-methyl-4-(trideuteriomethoxy)naphthalene?
The InChIKey is DUXRFNPXLWUXMT-BMSJAHLVSA-N. The full InChI is InChI=1S/C12H12O/c1-9-7-8-12(13-2)11-6-4-3-5-10(9)11/h3-8H,1-2H3/i2D3.
What are the key properties of 1-methyl-4-(trideuteriomethoxy)naphthalene?
1-methyl-4-(trideuteriomethoxy)naphthalene has a molecular weight of 175.25 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(trideuteriomethoxy)naphthalene is sourced from PubChem (CID 101106578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).