2,2-dideuterio-1,3-diphenylpropan-1-one

C15H14O — CID 23727371

IUPAC2,2-dideuterio-1,3-diphenylpropan-1-one
SMILES[2H]C([2H])(Cc1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C15H14O/c16-15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1-10H,11-12H2/i12D2
InChIKeyQGGZBXOADPVUPN-XUWBISKJSA-N
MW212.29 g/mol
LogP3.50
Rot. Bonds4

About 2,2-dideuterio-1,3-diphenylpropan-1-one

2,2-dideuterio-1,3-diphenylpropan-1-one (PubChem CID 23727371) has the molecular formula C15H14O and a molecular weight of 212.29 g/mol. Its IUPAC name is 2,2-dideuterio-1,3-diphenylpropan-1-one.

Molecular Properties

Compound Name2,2-dideuterio-1,3-diphenylpropan-1-one
PubChem CID23727371
Molecular FormulaC15H14O
Molecular Weight212.29 g/mol
Exact Mass212.12
IUPAC Name2,2-dideuterio-1,3-diphenylpropan-1-one
SMILES[2H]C([2H])(Cc1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C15H14O/c16-15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1-10H,11-12H2/i12D2
InChIKeyQGGZBXOADPVUPN-XUWBISKJSA-N
XLogP3.50
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-2-deuterio-1,2-diphenylethanone
CID 138962790
1,6-diphenylhexane-1,4-dione
CID 70896086
1,3-diphenylpropane-1,3-dione;dihydrofluoride
CID 159485423
bis(1,3-diphenylpropane-1,3-dione);zinc
CID 67929938
1,2-diphenylethanone;diphenylmethanone
CID 141067729
2-[3-[2-(3-phenacylphenyl)ethyl]phenyl]-1-phenylethanone
CID 10740738
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CID 10419181
benzene;2-hydroxy-1-phenylethanone
CID 174663024
1-(4-iodophenyl)-3-phenylpropan-1-one
CID 43160297
1-[4-(2-iodoethyl)phenyl]-2-phenylethanone
CID 20645066
1-[4-(aminomethyl)phenyl]-3-phenylpropan-1-one
CID 116548233
4-(4-benzoylphenyl)-1-phenylbutan-1-one
CID 15737707

Frequently Asked Questions

What is the IUPAC name of 2,2-dideuterio-1,3-diphenylpropan-1-one?
The IUPAC name of 2,2-dideuterio-1,3-diphenylpropan-1-one (CID 23727371) is 2,2-dideuterio-1,3-diphenylpropan-1-one.
What is the SMILES notation for 2,2-dideuterio-1,3-diphenylpropan-1-one?
The canonical SMILES for 2,2-dideuterio-1,3-diphenylpropan-1-one is [2H]C([2H])(Cc1ccccc1)C(=O)c1ccccc1.
What is the InChIKey of 2,2-dideuterio-1,3-diphenylpropan-1-one?
The InChIKey is QGGZBXOADPVUPN-XUWBISKJSA-N. The full InChI is InChI=1S/C15H14O/c16-15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1-10H,11-12H2/i12D2.
What are the key properties of 2,2-dideuterio-1,3-diphenylpropan-1-one?
2,2-dideuterio-1,3-diphenylpropan-1-one has a molecular weight of 212.29 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dideuterio-1,3-diphenylpropan-1-one is sourced from PubChem (CID 23727371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).