phenyl-[4-(trideuteriomethyl)phenyl]methanone

C14H12O — CID 71750207

IUPACphenyl-[4-(trideuteriomethyl)phenyl]methanone
SMILES[2H]C([2H])([2H])c1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C14H12O/c1-11-7-9-13(10-8-11)14(15)12-5-3-2-4-6-12/h2-10H,1H3/i1D3
InChIKeyWXPWZZHELZEVPO-FIBGUPNXSA-N
MW199.27 g/mol
LogP3.23
Rot. Bonds3

About phenyl-[4-(trideuteriomethyl)phenyl]methanone

phenyl-[4-(trideuteriomethyl)phenyl]methanone (PubChem CID 71750207) has the molecular formula C14H12O and a molecular weight of 199.27 g/mol. Its IUPAC name is phenyl-[4-(trideuteriomethyl)phenyl]methanone.

Molecular Properties

Compound Namephenyl-[4-(trideuteriomethyl)phenyl]methanone
PubChem CID71750207
Molecular FormulaC14H12O
Molecular Weight199.27 g/mol
Exact Mass199.11
IUPAC Namephenyl-[4-(trideuteriomethyl)phenyl]methanone
SMILES[2H]C([2H])([2H])c1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C14H12O/c1-11-7-9-13(10-8-11)14(15)12-5-3-2-4-6-12/h2-10H,1H3/i1D3
InChIKeyWXPWZZHELZEVPO-FIBGUPNXSA-N
XLogP3.23
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.27
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

diphenylmethanone;(4-methylphenyl)-phenylmethanone
CID 69336781
ethane;[4-[4-[4-[4-(4-methylphenyl)phenyl]phenyl]phenyl]phenyl]-phenylmethanone
CID 159022602
diphenylmethanone;ethane
CID 158014879
diphenylmethanone
CID 3102
[4-(4-methylphenyl)sulfinylphenyl]-phenylmethanone
CID 11450048
diphenylmethanone;gold
CID 174931146
disodium;diphenylmethanone
CID 19380838
cobalt(2+);diphenylmethanone
CID 19033779
bis(diphenylmethanone);dihydrochloride
CID 69107757
[4-(4-methylbenzenecarbothioyl)phenyl]-phenylmethanone
CID 151070047
boric acid;2,3-dimethylbutane-2,3-diol;(4-methylphenyl)-phenylmethanone
CID 175517764
diphenylmethanone;ethane;toluene
CID 157406780

Frequently Asked Questions

What is the IUPAC name of phenyl-[4-(trideuteriomethyl)phenyl]methanone?
The IUPAC name of phenyl-[4-(trideuteriomethyl)phenyl]methanone (CID 71750207) is phenyl-[4-(trideuteriomethyl)phenyl]methanone.
What is the SMILES notation for phenyl-[4-(trideuteriomethyl)phenyl]methanone?
The canonical SMILES for phenyl-[4-(trideuteriomethyl)phenyl]methanone is [2H]C([2H])([2H])c1ccc(C(=O)c2ccccc2)cc1.
What is the InChIKey of phenyl-[4-(trideuteriomethyl)phenyl]methanone?
The InChIKey is WXPWZZHELZEVPO-FIBGUPNXSA-N. The full InChI is InChI=1S/C14H12O/c1-11-7-9-13(10-8-11)14(15)12-5-3-2-4-6-12/h2-10H,1H3/i1D3.
What are the key properties of phenyl-[4-(trideuteriomethyl)phenyl]methanone?
phenyl-[4-(trideuteriomethyl)phenyl]methanone has a molecular weight of 199.27 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[4-(trideuteriomethyl)phenyl]methanone is sourced from PubChem (CID 71750207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).