phenyl-(2-tritiophenyl)methanone

C13H10O — CID 54288877

IUPACphenyl-(2-tritiophenyl)methanone
SMILES[3H]c1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C13H10O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H/i7T
InChIKeyRWCCWEUUXYIKHB-HKNMUYPKSA-N
MW184.23 g/mol
LogP2.92
Rot. Bonds2

About phenyl-(2-tritiophenyl)methanone

phenyl-(2-tritiophenyl)methanone (PubChem CID 54288877) has the molecular formula C13H10O and a molecular weight of 184.23 g/mol. Its IUPAC name is phenyl-(2-tritiophenyl)methanone.

Molecular Properties

Compound Namephenyl-(2-tritiophenyl)methanone
PubChem CID54288877
Molecular FormulaC13H10O
Molecular Weight184.23 g/mol
Exact Mass184.08
IUPAC Namephenyl-(2-tritiophenyl)methanone
SMILES[3H]c1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C13H10O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H/i7T
InChIKeyRWCCWEUUXYIKHB-HKNMUYPKSA-N
XLogP2.92
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

diphenylmethanone
CID 3102
diphenylmethanone;gold
CID 174931146
cobalt(2+);diphenylmethanone
CID 19033779
disodium;diphenylmethanone
CID 19380838
bis(diphenylmethanone);dihydrochloride
CID 69107757
diphenylmethanone;hydron;fluoride
CID 21465824
magnesium;diphenylmethanone;hydride
CID 175114327
diphenylmethanone;ethane
CID 158014879
phenyl-(4-phenylphenyl)methanone
CID 155775877
tetrakis(carbonochloridic acid);diphenylmethanone
CID 173240243
acetic acid;diphenylmethanone;hydrate
CID 161284686
2,2-dimethylpropane;diphenylmethanone
CID 159191976

Frequently Asked Questions

What is the IUPAC name of phenyl-(2-tritiophenyl)methanone?
The IUPAC name of phenyl-(2-tritiophenyl)methanone (CID 54288877) is phenyl-(2-tritiophenyl)methanone.
What is the SMILES notation for phenyl-(2-tritiophenyl)methanone?
The canonical SMILES for phenyl-(2-tritiophenyl)methanone is [3H]c1ccccc1C(=O)c1ccccc1.
What is the InChIKey of phenyl-(2-tritiophenyl)methanone?
The InChIKey is RWCCWEUUXYIKHB-HKNMUYPKSA-N. The full InChI is InChI=1S/C13H10O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H/i7T.
What are the key properties of phenyl-(2-tritiophenyl)methanone?
phenyl-(2-tritiophenyl)methanone has a molecular weight of 184.23 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-(2-tritiophenyl)methanone is sourced from PubChem (CID 54288877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).