(2R)-2-deuterio-1,2-diphenylethanone

C14H12O — CID 138962790

IUPAC(2R)-2-deuterio-1,2-diphenylethanone
SMILES[2H][C@@H](C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C14H12O/c15-14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-10H,11H2/i11D/t11-/m1/s1
InChIKeyOTKCEEWUXHVZQI-IFGNIZEASA-N
MW197.26 g/mol
LogP3.11
Rot. Bonds3

About (2R)-2-deuterio-1,2-diphenylethanone

(2R)-2-deuterio-1,2-diphenylethanone (PubChem CID 138962790) has the molecular formula C14H12O and a molecular weight of 197.26 g/mol. Its IUPAC name is (2R)-2-deuterio-1,2-diphenylethanone.

Molecular Properties

Compound Name(2R)-2-deuterio-1,2-diphenylethanone
PubChem CID138962790
Molecular FormulaC14H12O
Molecular Weight197.26 g/mol
Exact Mass197.10
IUPAC Name(2R)-2-deuterio-1,2-diphenylethanone
SMILES[2H][C@@H](C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C14H12O/c15-14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-10H,11H2/i11D/t11-/m1/s1
InChIKeyOTKCEEWUXHVZQI-IFGNIZEASA-N
XLogP3.11
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,2-dideuterio-1,3-diphenylpropan-1-one
CID 23727371
1,3-diphenylpropane-1,3-dione;dihydrofluoride
CID 159485423
bis(1,3-diphenylpropane-1,3-dione);zinc
CID 67929938
2-phenacyloxy-1-phenylethanone
CID 12781821
1,2-diphenylethanone;diphenylmethanone
CID 141067729
benzene;2-hydroxy-1-phenylethanone
CID 174663024
CID 173152165
CID 173152165
azane;2-hydroxy-1-phenylethanone
CID 161228887
1-phenyl(111C)propan-1-one
CID 11159350
1-(4-iodophenyl)-2-phenylethanone
CID 24723884
2-[benzyl(phenacyl)amino]-1-phenylethanone;hydrobromide
CID 14149400
(3-oxo-3-phenylpropanoyl) 3-oxo-3-phenylpropanoate
CID 87499200

Frequently Asked Questions

What is the IUPAC name of (2R)-2-deuterio-1,2-diphenylethanone?
The IUPAC name of (2R)-2-deuterio-1,2-diphenylethanone (CID 138962790) is (2R)-2-deuterio-1,2-diphenylethanone.
What is the SMILES notation for (2R)-2-deuterio-1,2-diphenylethanone?
The canonical SMILES for (2R)-2-deuterio-1,2-diphenylethanone is [2H][C@@H](C(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of (2R)-2-deuterio-1,2-diphenylethanone?
The InChIKey is OTKCEEWUXHVZQI-IFGNIZEASA-N. The full InChI is InChI=1S/C14H12O/c15-14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-10H,11H2/i11D/t11-/m1/s1.
What are the key properties of (2R)-2-deuterio-1,2-diphenylethanone?
(2R)-2-deuterio-1,2-diphenylethanone has a molecular weight of 197.26 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-deuterio-1,2-diphenylethanone is sourced from PubChem (CID 138962790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).