(3,4-dideuteriophenyl)-phenylmethanone

C13H10O — CID 102491682

IUPAC(3,4-dideuteriophenyl)-phenylmethanone
SMILES[2H]c1ccc(C(=O)c2ccccc2)cc1[2H]
InChIInChI=1S/C13H10O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H/i1D,3D
InChIKeyRWCCWEUUXYIKHB-SDTNDFKLSA-N
MW184.23 g/mol
LogP2.92
Rot. Bonds2

About (3,4-dideuteriophenyl)-phenylmethanone

(3,4-dideuteriophenyl)-phenylmethanone (PubChem CID 102491682) has the molecular formula C13H10O and a molecular weight of 184.23 g/mol. Its IUPAC name is (3,4-dideuteriophenyl)-phenylmethanone.

Molecular Properties

Compound Name(3,4-dideuteriophenyl)-phenylmethanone
PubChem CID102491682
Molecular FormulaC13H10O
Molecular Weight184.23 g/mol
Exact Mass184.09
IUPAC Name(3,4-dideuteriophenyl)-phenylmethanone
SMILES[2H]c1ccc(C(=O)c2ccccc2)cc1[2H]
InChIInChI=1S/C13H10O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H/i1D,3D
InChIKeyRWCCWEUUXYIKHB-SDTNDFKLSA-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 ≤ 500184.23
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

diphenylmethanone
CID 3102
diphenylmethanone;gold
CID 174931146
cobalt(2+);diphenylmethanone
CID 19033779
disodium;diphenylmethanone
CID 19380838
bis(diphenylmethanone);dihydrochloride
CID 69107757
diphenylmethanone;hydron;fluoride
CID 21465824
magnesium;diphenylmethanone;hydride
CID 175114327
diphenylmethanone;ethane
CID 158014879
tetrakis(carbonochloridic acid);diphenylmethanone
CID 173240243
acetic acid;diphenylmethanone;hydrate
CID 161284686
2,2-dimethylpropane;diphenylmethanone
CID 159191976
(4-hydroxyphenyl)-phenylmethanone
CID 139062648

Frequently Asked Questions

What is the IUPAC name of (3,4-dideuteriophenyl)-phenylmethanone?
The IUPAC name of (3,4-dideuteriophenyl)-phenylmethanone (CID 102491682) is (3,4-dideuteriophenyl)-phenylmethanone.
What is the SMILES notation for (3,4-dideuteriophenyl)-phenylmethanone?
The canonical SMILES for (3,4-dideuteriophenyl)-phenylmethanone is [2H]c1ccc(C(=O)c2ccccc2)cc1[2H].
What is the InChIKey of (3,4-dideuteriophenyl)-phenylmethanone?
The InChIKey is RWCCWEUUXYIKHB-SDTNDFKLSA-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/i1D,3D.
What are the key properties of (3,4-dideuteriophenyl)-phenylmethanone?
(3,4-dideuteriophenyl)-phenylmethanone has a molecular weight of 184.23 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 (3,4-dideuteriophenyl)-phenylmethanone is sourced from PubChem (CID 102491682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).