1-(2,6-dideuterio-4-phenylphenyl)ethanone

C14H12O — CID 72735666

IUPAC1-(2,6-dideuterio-4-phenylphenyl)ethanone
SMILES[2H]c1cc(-c2ccccc2)cc([2H])c1C(C)=O
InChIInChI=1S/C14H12O/c1-11(15)12-7-9-14(10-8-12)13-5-3-2-4-6-13/h2-10H,1H3/i7D,8D
InChIKeyQCZZSANNLWPGEA-QTQOOCSTSA-N
MW198.26 g/mol
LogP3.56
Rot. Bonds2

About 1-(2,6-dideuterio-4-phenylphenyl)ethanone

1-(2,6-dideuterio-4-phenylphenyl)ethanone (PubChem CID 72735666) has the molecular formula C14H12O and a molecular weight of 198.26 g/mol. Its IUPAC name is 1-(2,6-dideuterio-4-phenylphenyl)ethanone.

Molecular Properties

Compound Name1-(2,6-dideuterio-4-phenylphenyl)ethanone
PubChem CID72735666
Molecular FormulaC14H12O
Molecular Weight198.26 g/mol
Exact Mass198.10
IUPAC Name1-(2,6-dideuterio-4-phenylphenyl)ethanone
SMILES[2H]c1cc(-c2ccccc2)cc([2H])c1C(C)=O
InChIInChI=1S/C14H12O/c1-11(15)12-7-9-14(10-8-12)13-5-3-2-4-6-13/h2-10H,1H3/i7D,8D
InChIKeyQCZZSANNLWPGEA-QTQOOCSTSA-N
XLogP3.56
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,1'-biphenyl;ethane;bis(1-phenylethanone)
CID 90714339
ethane;1-(4-phenylphenyl)ethanone
CID 123256888
formaldehyde;1-(4-phenylphenyl)ethanone
CID 70138371
1-azulen-2-ylethanone
CID 15255141
acetic acid;1,1'-biphenyl;ethane
CID 91464981
1-(cyclotetradecaheptaenyl)ethanone
CID 90871438
acetic acid;1,1'-biphenyl;zinc
CID 70522083
lithium 1-phenylethanone
CID 22269591
iron;1-phenylethanone
CID 70488357
potassium 1-phenylethanone
CID 19980201
acetic acid;1-phenylethanone
CID 159392478
1,3-dideuterio-2-methyl-5-phenylbenzene
CID 140908815

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dideuterio-4-phenylphenyl)ethanone?
The IUPAC name of 1-(2,6-dideuterio-4-phenylphenyl)ethanone (CID 72735666) is 1-(2,6-dideuterio-4-phenylphenyl)ethanone.
What is the SMILES notation for 1-(2,6-dideuterio-4-phenylphenyl)ethanone?
The canonical SMILES for 1-(2,6-dideuterio-4-phenylphenyl)ethanone is [2H]c1cc(-c2ccccc2)cc([2H])c1C(C)=O.
What is the InChIKey of 1-(2,6-dideuterio-4-phenylphenyl)ethanone?
The InChIKey is QCZZSANNLWPGEA-QTQOOCSTSA-N. The full InChI is InChI=1S/C14H12O/c1-11(15)12-7-9-14(10-8-12)13-5-3-2-4-6-13/h2-10H,1H3/i7D,8D.
What are the key properties of 1-(2,6-dideuterio-4-phenylphenyl)ethanone?
1-(2,6-dideuterio-4-phenylphenyl)ethanone has a molecular weight of 198.26 g/mol, XLogP of 3.56, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dideuterio-4-phenylphenyl)ethanone is sourced from PubChem (CID 72735666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).