bis(2,6-dideuteriophenyl)methanone

C13H10O — CID 11446765

IUPACbis(2,6-dideuteriophenyl)methanone
SMILES[2H]c1cccc([2H])c1C(=O)c1c([2H])cccc1[2H]
InChIInChI=1S/C13H10O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H/i7D,8D,9D,10D
InChIKeyRWCCWEUUXYIKHB-ULDPCNCHSA-N
MW186.25 g/mol
LogP2.92
Rot. Bonds2

About bis(2,6-dideuteriophenyl)methanone

bis(2,6-dideuteriophenyl)methanone (PubChem CID 11446765) has the molecular formula C13H10O and a molecular weight of 186.25 g/mol. Its IUPAC name is bis(2,6-dideuteriophenyl)methanone.

Molecular Properties

Compound Namebis(2,6-dideuteriophenyl)methanone
PubChem CID11446765
Molecular FormulaC13H10O
Molecular Weight186.25 g/mol
Exact Mass186.10
IUPAC Namebis(2,6-dideuteriophenyl)methanone
SMILES[2H]c1cccc([2H])c1C(=O)c1c([2H])cccc1[2H]
InChIInChI=1S/C13H10O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H/i7D,8D,9D,10D
InChIKeyRWCCWEUUXYIKHB-ULDPCNCHSA-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 ≤ 500186.25
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-deuterio-1-(2-deuteriophenyl)ethanone
CID 122399221
diphenylmethanone
CID 3102
1-(2-deuteriophenyl)-2,2-dimethylpropan-1-one
CID 135043969
(3,4-dideuteriophenyl)-phenylmethanone
CID 102491682
diphenylmethanone;gold
CID 174931146
bis(diphenylmethanone);dihydrochloride
CID 69107757
cobalt(2+);diphenylmethanone
CID 19033779
disodium;diphenylmethanone
CID 19380838
diphenylmethanone;ethane
CID 158014879
diphenylmethanone;hydron;fluoride
CID 21465824
magnesium;diphenylmethanone;hydride
CID 175114327
tetrakis(carbonochloridic acid);diphenylmethanone
CID 173240243

Frequently Asked Questions

What is the IUPAC name of bis(2,6-dideuteriophenyl)methanone?
The IUPAC name of bis(2,6-dideuteriophenyl)methanone (CID 11446765) is bis(2,6-dideuteriophenyl)methanone.
What is the SMILES notation for bis(2,6-dideuteriophenyl)methanone?
The canonical SMILES for bis(2,6-dideuteriophenyl)methanone is [2H]c1cccc([2H])c1C(=O)c1c([2H])cccc1[2H].
What is the InChIKey of bis(2,6-dideuteriophenyl)methanone?
The InChIKey is RWCCWEUUXYIKHB-ULDPCNCHSA-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/i7D,8D,9D,10D.
What are the key properties of bis(2,6-dideuteriophenyl)methanone?
bis(2,6-dideuteriophenyl)methanone has a molecular weight of 186.25 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 bis(2,6-dideuteriophenyl)methanone is sourced from PubChem (CID 11446765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).