1-(2-deuteriophenyl)-2,2-dimethylpropan-1-one

C11H14O — CID 135043969

IUPAC1-(2-deuteriophenyl)-2,2-dimethylpropan-1-one
SMILES[2H]c1ccccc1C(=O)C(C)(C)C
InChIInChI=1S/C11H14O/c1-11(2,3)10(12)9-7-5-4-6-8-9/h4-8H,1-3H3/i7D
InChIKeyOECPUBRNDKXFDX-WHRKIXHSSA-N
MW163.24 g/mol
LogP2.92
Rot. Bonds1

About 1-(2-deuteriophenyl)-2,2-dimethylpropan-1-one

1-(2-deuteriophenyl)-2,2-dimethylpropan-1-one (PubChem CID 135043969) has the molecular formula C11H14O and a molecular weight of 163.24 g/mol. Its IUPAC name is 1-(2-deuteriophenyl)-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-(2-deuteriophenyl)-2,2-dimethylpropan-1-one
PubChem CID135043969
Molecular FormulaC11H14O
Molecular Weight163.24 g/mol
Exact Mass163.11
IUPAC Name1-(2-deuteriophenyl)-2,2-dimethylpropan-1-one
SMILES[2H]c1ccccc1C(=O)C(C)(C)C
InChIInChI=1S/C11H14O/c1-11(2,3)10(12)9-7-5-4-6-8-9/h4-8H,1-3H3/i7D
InChIKeyOECPUBRNDKXFDX-WHRKIXHSSA-N
XLogP2.92
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.24
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,2-dimethyl-1-phenylpropan-1-one;1-(4-fluorophenyl)-2,2-dimethylpropan-1-one
CID 158594816
2-deuterio-1-(2-deuteriophenyl)ethanone
CID 122399221
2,2-dimethyl-1-[4-[2-[4-(2-phenylethyl)phenyl]ethyl]phenyl]propan-1-one
CID 155310115
2,2-dimethyl-1-[4-(N-phenylanilino)phenyl]propan-1-one
CID 86015033
2,2-dimethylpropane;diphenylmethanone
CID 159191976
2-hydroxy-2-methyl-1-phenylpropan-1-one;sulfane
CID 70599278
(2S)-2-benzoyl-2,3,3-trimethylbutanedioic acid
CID 175533382
benzoic acid;methanol
CID 67901482
bis(2,6-dideuteriophenyl)methanone
CID 11446765
2,2-dimethyl-1-(1-phenacylpyridin-1-ium-4-yl)propan-1-one
CID 139732290
2,2-dimethyl-1-(1-phenylpyrazol-4-yl)propan-1-one
CID 14590777
4-(2,2-dimethylpropanoyl)-N-phenylbenzamide
CID 18949256

Frequently Asked Questions

What is the IUPAC name of 1-(2-deuteriophenyl)-2,2-dimethylpropan-1-one?
The IUPAC name of 1-(2-deuteriophenyl)-2,2-dimethylpropan-1-one (CID 135043969) is 1-(2-deuteriophenyl)-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-(2-deuteriophenyl)-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-(2-deuteriophenyl)-2,2-dimethylpropan-1-one is [2H]c1ccccc1C(=O)C(C)(C)C.
What is the InChIKey of 1-(2-deuteriophenyl)-2,2-dimethylpropan-1-one?
The InChIKey is OECPUBRNDKXFDX-WHRKIXHSSA-N. The full InChI is InChI=1S/C11H14O/c1-11(2,3)10(12)9-7-5-4-6-8-9/h4-8H,1-3H3/i7D.
What are the key properties of 1-(2-deuteriophenyl)-2,2-dimethylpropan-1-one?
1-(2-deuteriophenyl)-2,2-dimethylpropan-1-one has a molecular weight of 163.24 g/mol, XLogP of 2.92, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-deuteriophenyl)-2,2-dimethylpropan-1-one is sourced from PubChem (CID 135043969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).