1-methyl-4-(tritiomethyl)benzene

C8H10 — CID 54368455

IUPAC1-methyl-4-(tritiomethyl)benzene
SMILES[3H]Cc1ccc(C)cc1
InChIInChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3/i1T
InChIKeyURLKBWYHVLBVBO-CNRUNOGKSA-N
MW108.18 g/mol
LogP2.30
Rot. Bonds1

About 1-methyl-4-(tritiomethyl)benzene

1-methyl-4-(tritiomethyl)benzene (PubChem CID 54368455) has the molecular formula C8H10 and a molecular weight of 108.18 g/mol. Its IUPAC name is 1-methyl-4-(tritiomethyl)benzene.

Molecular Properties

Compound Name1-methyl-4-(tritiomethyl)benzene
PubChem CID54368455
Molecular FormulaC8H10
Molecular Weight108.18 g/mol
Exact Mass108.09
IUPAC Name1-methyl-4-(tritiomethyl)benzene
SMILES[3H]Cc1ccc(C)cc1
InChIInChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3/i1T
InChIKeyURLKBWYHVLBVBO-CNRUNOGKSA-N
XLogP2.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.18
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(tritiomethyl)benzene?
The IUPAC name of 1-methyl-4-(tritiomethyl)benzene (CID 54368455) is 1-methyl-4-(tritiomethyl)benzene.
What is the SMILES notation for 1-methyl-4-(tritiomethyl)benzene?
The canonical SMILES for 1-methyl-4-(tritiomethyl)benzene is [3H]Cc1ccc(C)cc1.
What is the InChIKey of 1-methyl-4-(tritiomethyl)benzene?
The InChIKey is URLKBWYHVLBVBO-CNRUNOGKSA-N. The full InChI is InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3/i1T.
What are the key properties of 1-methyl-4-(tritiomethyl)benzene?
1-methyl-4-(tritiomethyl)benzene has a molecular weight of 108.18 g/mol, XLogP of 2.30, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(tritiomethyl)benzene is sourced from PubChem (CID 54368455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).