2,2,2-trideuterio-1-(2-methylphenyl)ethanone

C9H10O — CID 10486909

IUPAC2,2,2-trideuterio-1-(2-methylphenyl)ethanone
SMILES[2H]C([2H])([2H])C(=O)c1ccccc1C
InChIInChI=1S/C9H10O/c1-7-5-3-4-6-9(7)8(2)10/h3-6H,1-2H3/i2D3
InChIKeyYXWWHNCQZBVZPV-BMSJAHLVSA-N
MW137.20 g/mol
LogP2.20
Rot. Bonds2

About 2,2,2-trideuterio-1-(2-methylphenyl)ethanone

2,2,2-trideuterio-1-(2-methylphenyl)ethanone (PubChem CID 10486909) has the molecular formula C9H10O and a molecular weight of 137.20 g/mol. Its IUPAC name is 2,2,2-trideuterio-1-(2-methylphenyl)ethanone.

Molecular Properties

Compound Name2,2,2-trideuterio-1-(2-methylphenyl)ethanone
PubChem CID10486909
Molecular FormulaC9H10O
Molecular Weight137.20 g/mol
Exact Mass137.09
IUPAC Name2,2,2-trideuterio-1-(2-methylphenyl)ethanone
SMILES[2H]C([2H])([2H])C(=O)c1ccccc1C
InChIInChI=1S/C9H10O/c1-7-5-3-4-6-9(7)8(2)10/h3-6H,1-2H3/i2D3
InChIKeyYXWWHNCQZBVZPV-BMSJAHLVSA-N
XLogP2.20
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.20
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;1-(2-methylphenyl)ethanone
CID 91374073
carbanide;1-(2-methylphenyl)ethanone;tris(yttrium)
CID 160605653
2,2,2-trideuterio-1-(2-hydroxyphenyl)ethanone
CID 102513692
ethane;methoxymethane;1-(2-methylphenyl)ethanone
CID 90975384
1-(2-methylphenyl)ethanone;1-phenylethanone
CID 160893925
[2-(2-methylbenzoyl)phenyl]-(2-methylphenyl)methanone
CID 15597717
ethane;1-(2-methylphenyl)ethanone;prop-1-ene
CID 171517790
bis(2-methylbenzoic acid);hydrate
CID 69398343
iron;2-methylbenzoic acid
CID 174483135
2-methylbenzoyl chloride;dihydrochloride
CID 141083599
tris(2-methylbenzoyl)sulfanium
CID 142714960
2-methylbenzamide;molecular hydrogen
CID 177161283

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trideuterio-1-(2-methylphenyl)ethanone?
The IUPAC name of 2,2,2-trideuterio-1-(2-methylphenyl)ethanone (CID 10486909) is 2,2,2-trideuterio-1-(2-methylphenyl)ethanone.
What is the SMILES notation for 2,2,2-trideuterio-1-(2-methylphenyl)ethanone?
The canonical SMILES for 2,2,2-trideuterio-1-(2-methylphenyl)ethanone is [2H]C([2H])([2H])C(=O)c1ccccc1C.
What is the InChIKey of 2,2,2-trideuterio-1-(2-methylphenyl)ethanone?
The InChIKey is YXWWHNCQZBVZPV-BMSJAHLVSA-N. The full InChI is InChI=1S/C9H10O/c1-7-5-3-4-6-9(7)8(2)10/h3-6H,1-2H3/i2D3.
What are the key properties of 2,2,2-trideuterio-1-(2-methylphenyl)ethanone?
2,2,2-trideuterio-1-(2-methylphenyl)ethanone has a molecular weight of 137.20 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trideuterio-1-(2-methylphenyl)ethanone is sourced from PubChem (CID 10486909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).