tritio-[4-[2-(2-tritiocarbonylphenyl)propan-2-yl]phenyl]methanone

C17H16O2 — CID 169322291

IUPACtritio-[4-[2-(2-tritiocarbonylphenyl)propan-2-yl]phenyl]methanone
SMILES[3H]C(=O)c1ccc(C(C)(C)c2ccccc2C([3H])=O)cc1
InChIInChI=1S/C17H16O2/c1-17(2,15-9-7-13(11-18)8-10-15)16-6-4-3-5-14(16)12-19/h3-12H,1-2H3/i11T,12T
InChIKeyZSCCEKHTVMQVTI-GHUTVULXSA-N
MW256.33 g/mol
LogP3.64
Rot. Bonds4

About tritio-[4-[2-(2-tritiocarbonylphenyl)propan-2-yl]phenyl]methanone

tritio-[4-[2-(2-tritiocarbonylphenyl)propan-2-yl]phenyl]methanone (PubChem CID 169322291) has the molecular formula C17H16O2 and a molecular weight of 256.33 g/mol. Its IUPAC name is tritio-[4-[2-(2-tritiocarbonylphenyl)propan-2-yl]phenyl]methanone.

Molecular Properties

Compound Nametritio-[4-[2-(2-tritiocarbonylphenyl)propan-2-yl]phenyl]methanone
PubChem CID169322291
Molecular FormulaC17H16O2
Molecular Weight256.33 g/mol
Exact Mass256.13
IUPAC Nametritio-[4-[2-(2-tritiocarbonylphenyl)propan-2-yl]phenyl]methanone
SMILES[3H]C(=O)c1ccc(C(C)(C)c2ccccc2C([3H])=O)cc1
InChIInChI=1S/C17H16O2/c1-17(2,15-9-7-13(11-18)8-10-15)16-6-4-3-5-14(16)12-19/h3-12H,1-2H3/i11T,12T
InChIKeyZSCCEKHTVMQVTI-GHUTVULXSA-N
XLogP3.64
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 53.64
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

2-methyl-3-(2-phenylpropan-2-yl)benzaldehyde
CID 141223238
1,2-ditert-butyl-4-[2-(2-tert-butylphenyl)propan-2-yl]benzene
CID 101326757
2-[2-[4-[2-(2-aminophenyl)propan-2-yl]phenyl]propan-2-yl]aniline
CID 18997970
5-tert-butyl-2-hydroxy-3-(2-phenylpropan-2-yl)benzaldehyde
CID 86722291
(2-tert-butylphenyl)-deuteriomethanone
CID 58810547
2-fluoro-2-(2-fluorophenyl)propanal
CID 105434360
1-[2,3-dimethyl-3-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]butan-2-yl]-4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene
CID 101407026
2-[2-[4-[2-[4-(2-anthracen-2-ylethenyl)phenyl]propan-2-yl]phenyl]ethenyl]anthracene
CID 72543257
2-bromo-2-(2-methylphenyl)propanal
CID 87165825
2-(2-phenylpropan-2-yl)phenol;hydrate
CID 174697950
2-(2-hydroxyphenyl)-2-methylpropanal
CID 88788107
benzene;2-(2-phenylpropan-2-yl)phenol;hydrate
CID 174709888

Frequently Asked Questions

What is the IUPAC name of tritio-[4-[2-(2-tritiocarbonylphenyl)propan-2-yl]phenyl]methanone?
The IUPAC name of tritio-[4-[2-(2-tritiocarbonylphenyl)propan-2-yl]phenyl]methanone (CID 169322291) is tritio-[4-[2-(2-tritiocarbonylphenyl)propan-2-yl]phenyl]methanone.
What is the SMILES notation for tritio-[4-[2-(2-tritiocarbonylphenyl)propan-2-yl]phenyl]methanone?
The canonical SMILES for tritio-[4-[2-(2-tritiocarbonylphenyl)propan-2-yl]phenyl]methanone is [3H]C(=O)c1ccc(C(C)(C)c2ccccc2C([3H])=O)cc1.
What is the InChIKey of tritio-[4-[2-(2-tritiocarbonylphenyl)propan-2-yl]phenyl]methanone?
The InChIKey is ZSCCEKHTVMQVTI-GHUTVULXSA-N. The full InChI is InChI=1S/C17H16O2/c1-17(2,15-9-7-13(11-18)8-10-15)16-6-4-3-5-14(16)12-19/h3-12H,1-2H3/i11T,12T.
What are the key properties of tritio-[4-[2-(2-tritiocarbonylphenyl)propan-2-yl]phenyl]methanone?
tritio-[4-[2-(2-tritiocarbonylphenyl)propan-2-yl]phenyl]methanone has a molecular weight of 256.33 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tritio-[4-[2-(2-tritiocarbonylphenyl)propan-2-yl]phenyl]methanone is sourced from PubChem (CID 169322291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).