1-[5-methyl-2-(trideuteriomethoxy)phenyl]ethanone

C10H12O2 — CID 162369564

IUPAC1-[5-methyl-2-(trideuteriomethoxy)phenyl]ethanone
SMILES[2H]C([2H])([2H])Oc1ccc(C)cc1C(C)=O
InChIInChI=1S/C10H12O2/c1-7-4-5-10(12-3)9(6-7)8(2)11/h4-6H,1-3H3/i3D3
InChIKeyFHIOYMGCAXTUGF-HPRDVNIFSA-N
MW167.22 g/mol
LogP2.21
Rot. Bonds3

About 1-[5-methyl-2-(trideuteriomethoxy)phenyl]ethanone

1-[5-methyl-2-(trideuteriomethoxy)phenyl]ethanone (PubChem CID 162369564) has the molecular formula C10H12O2 and a molecular weight of 167.22 g/mol. Its IUPAC name is 1-[5-methyl-2-(trideuteriomethoxy)phenyl]ethanone.

Molecular Properties

Compound Name1-[5-methyl-2-(trideuteriomethoxy)phenyl]ethanone
PubChem CID162369564
Molecular FormulaC10H12O2
Molecular Weight167.22 g/mol
Exact Mass167.10
IUPAC Name1-[5-methyl-2-(trideuteriomethoxy)phenyl]ethanone
SMILES[2H]C([2H])([2H])Oc1ccc(C)cc1C(C)=O
InChIInChI=1S/C10H12O2/c1-7-4-5-10(12-3)9(6-7)8(2)11/h4-6H,1-3H3/i3D3
InChIKeyFHIOYMGCAXTUGF-HPRDVNIFSA-N
XLogP2.21
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.22
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-acetyl-4-methylphenyl) 5-methylthiophene-2-carboxylate
CID 142757062
1-[2-(4-bromobutoxy)-5-methylphenyl]ethanone
CID 43504846
1-(2-but-3-en-2-yloxy-5-methylphenyl)ethanone
CID 62382500
1-(2-but-3-ynoxy-5-methylphenyl)ethanone
CID 43504869
propan-2-yl 2-(2-acetyl-4-methylphenoxy)acetate
CID 54942552
3-acetyl-2-methoxy-5-methylcyclohepta-2,4,6-trien-1-one
CID 14948663
1-[2-[(1-hydroxycyclopentyl)methoxy]-5-methylphenyl]ethanone
CID 65210652
1-[2-[(2-chloro-4-methylphenyl)methoxy]-5-methylphenyl]ethanone
CID 106863595
1-[5-methyl-2-(3,3,3-trifluoro-2-hydroxypropoxy)phenyl]ethanone
CID 63902310
1-[2-(2-hydroxy-2-methylbutoxy)-5-methylphenyl]ethanone
CID 114493917
1-(5-bromo-2-methoxyphenyl)ethanone
CID 2757029
N-[1-(2-methoxy-5-methylphenyl)ethylidene]hydroxylamine
CID 74880473

Frequently Asked Questions

What is the IUPAC name of 1-[5-methyl-2-(trideuteriomethoxy)phenyl]ethanone?
The IUPAC name of 1-[5-methyl-2-(trideuteriomethoxy)phenyl]ethanone (CID 162369564) is 1-[5-methyl-2-(trideuteriomethoxy)phenyl]ethanone.
What is the SMILES notation for 1-[5-methyl-2-(trideuteriomethoxy)phenyl]ethanone?
The canonical SMILES for 1-[5-methyl-2-(trideuteriomethoxy)phenyl]ethanone is [2H]C([2H])([2H])Oc1ccc(C)cc1C(C)=O.
What is the InChIKey of 1-[5-methyl-2-(trideuteriomethoxy)phenyl]ethanone?
The InChIKey is FHIOYMGCAXTUGF-HPRDVNIFSA-N. The full InChI is InChI=1S/C10H12O2/c1-7-4-5-10(12-3)9(6-7)8(2)11/h4-6H,1-3H3/i3D3.
What are the key properties of 1-[5-methyl-2-(trideuteriomethoxy)phenyl]ethanone?
1-[5-methyl-2-(trideuteriomethoxy)phenyl]ethanone has a molecular weight of 167.22 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-methyl-2-(trideuteriomethoxy)phenyl]ethanone is sourced from PubChem (CID 162369564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).