1-(2-methyl-3-tritiocarbonylphenyl)ethanone

C10H10O2 — CID 59922204

IUPAC1-(2-methyl-3-tritiocarbonylphenyl)ethanone
SMILES[3H]C(=O)c1cccc(C(C)=O)c1C
InChIInChI=1S/C10H10O2/c1-7-9(6-11)4-3-5-10(7)8(2)12/h3-6H,1-2H3/i6T
InChIKeyITOYHXHYYAAZSS-NGIXYFTOSA-N
MW164.20 g/mol
LogP2.01
Rot. Bonds2

About 1-(2-methyl-3-tritiocarbonylphenyl)ethanone

1-(2-methyl-3-tritiocarbonylphenyl)ethanone (PubChem CID 59922204) has the molecular formula C10H10O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is 1-(2-methyl-3-tritiocarbonylphenyl)ethanone.

Molecular Properties

Compound Name1-(2-methyl-3-tritiocarbonylphenyl)ethanone
PubChem CID59922204
Molecular FormulaC10H10O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name1-(2-methyl-3-tritiocarbonylphenyl)ethanone
SMILES[3H]C(=O)c1cccc(C(C)=O)c1C
InChIInChI=1S/C10H10O2/c1-7-9(6-11)4-3-5-10(7)8(2)12/h3-6H,1-2H3/i6T
InChIKeyITOYHXHYYAAZSS-NGIXYFTOSA-N
XLogP2.01
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 52.01
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

3-acetyl-2-hydroxybenzaldehyde
CID 10975813
8-acetylnaphthalene-1-carbaldehyde
CID 14613312
acetaldehyde;1-(2-acetylphenyl)ethanone
CID 159210458
3-acetyl-2-methoxybenzaldehyde
CID 148697874
1-[3-(difluoromethyl)-2-methylphenyl]ethanone
CID 138750714
3-acetyl-2-methylbenzenesulfonic acid
CID 23042311
1-[3-(fluoromethyl)-2-methylphenyl]ethanone
CID 118460978
1-(2-acetylphenyl)ethanone;methane
CID 158210616
3-(3-acetamidoprop-1-enyl)-2-methylbenzoic acid
CID 169465735
(2-acetylphenyl) (2-formylphenyl) carbonate;ethene
CID 142249621
3-(3-methoxy-3-oxoprop-1-enyl)-2-methylbenzoic acid
CID 169479186
1-[3-(difluoromethoxy)-2-methylphenyl]ethanone
CID 70867743

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-3-tritiocarbonylphenyl)ethanone?
The IUPAC name of 1-(2-methyl-3-tritiocarbonylphenyl)ethanone (CID 59922204) is 1-(2-methyl-3-tritiocarbonylphenyl)ethanone.
What is the SMILES notation for 1-(2-methyl-3-tritiocarbonylphenyl)ethanone?
The canonical SMILES for 1-(2-methyl-3-tritiocarbonylphenyl)ethanone is [3H]C(=O)c1cccc(C(C)=O)c1C.
What is the InChIKey of 1-(2-methyl-3-tritiocarbonylphenyl)ethanone?
The InChIKey is ITOYHXHYYAAZSS-NGIXYFTOSA-N. The full InChI is InChI=1S/C10H10O2/c1-7-9(6-11)4-3-5-10(7)8(2)12/h3-6H,1-2H3/i6T.
What are the key properties of 1-(2-methyl-3-tritiocarbonylphenyl)ethanone?
1-(2-methyl-3-tritiocarbonylphenyl)ethanone has a molecular weight of 164.20 g/mol, XLogP of 2.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-3-tritiocarbonylphenyl)ethanone is sourced from PubChem (CID 59922204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).