1,2-diphenylethane-1,2-di(18O2)one

C14H10O2 — CID 101209635

IUPAC1,2-diphenylethane-1,2-di(18O2)one
SMILES[18O]=C(C(=[18O])c1ccccc1)c1ccccc1
InChIInChI=1S/C14H10O2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10H/i15+2,16+2
InChIKeyWURBFLDFSFBTLW-IUWMYWAXSA-N
MW214.23 g/mol
LogP2.75
Rot. Bonds3

About 1,2-diphenylethane-1,2-di(18O2)one

1,2-diphenylethane-1,2-di(18O2)one (PubChem CID 101209635) has the molecular formula C14H10O2 and a molecular weight of 214.23 g/mol. Its IUPAC name is 1,2-diphenylethane-1,2-di(18O2)one.

Molecular Properties

Compound Name1,2-diphenylethane-1,2-di(18O2)one
PubChem CID101209635
Molecular FormulaC14H10O2
Molecular Weight214.23 g/mol
Exact Mass214.08
IUPAC Name1,2-diphenylethane-1,2-di(18O2)one
SMILES[18O]=C(C(=[18O])c1ccccc1)c1ccccc1
InChIInChI=1S/C14H10O2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10H/i15+2,16+2
InChIKeyWURBFLDFSFBTLW-IUWMYWAXSA-N
XLogP2.75
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.23
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

1-phenylpentane-1,2-di(18O2)one
CID 53475284
CID 12505640
CID 12505640
(Z)-1,2-diphenylethene-1,2-diol
CID 11012436
CID 67882804
CID 67882804
phosphane;1,2,2-triphenylethenylbenzene
CID 157288563
bis(1,2-diphenylethane-1,2-dione);hydrogen peroxide
CID 18415505
benzoic acid;formonitrile
CID 68717416
bis(1,2-diphenylethane-1,2-dione);dihydrochloride
CID 67930699
1,2-diphenylethane-1,2-dione bromide
CID 86754555
dilithium;hydride;1,2,2-triphenylethenylbenzene
CID 173364079
1,2-diphenylethane-1,2-dione;hydrofluoride
CID 158476796
diphenylmethanone
CID 3102

Frequently Asked Questions

What is the IUPAC name of 1,2-diphenylethane-1,2-di(18O2)one?
The IUPAC name of 1,2-diphenylethane-1,2-di(18O2)one (CID 101209635) is 1,2-diphenylethane-1,2-di(18O2)one.
What is the SMILES notation for 1,2-diphenylethane-1,2-di(18O2)one?
The canonical SMILES for 1,2-diphenylethane-1,2-di(18O2)one is [18O]=C(C(=[18O])c1ccccc1)c1ccccc1.
What is the InChIKey of 1,2-diphenylethane-1,2-di(18O2)one?
The InChIKey is WURBFLDFSFBTLW-IUWMYWAXSA-N. The full InChI is InChI=1S/C14H10O2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10H/i15+2,16+2.
What are the key properties of 1,2-diphenylethane-1,2-di(18O2)one?
1,2-diphenylethane-1,2-di(18O2)one has a molecular weight of 214.23 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diphenylethane-1,2-di(18O2)one is sourced from PubChem (CID 101209635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).