1-[2-(2-methylprop-1-enyl)phenyl]-2-phenylethane-1,2-dione

C18H16O2 — CID 102031724

IUPAC1-[2-(2-methylprop-1-enyl)phenyl]-2-phenylethane-1,2-dione
SMILESCC(C)=Cc1ccccc1C(=O)C(=O)c1ccccc1
InChIInChI=1S/C18H16O2/c1-13(2)12-15-10-6-7-11-16(15)18(20)17(19)14-8-4-3-5-9-14/h3-12H,1-2H3
InChIKeySVJYBGDPIOKSNM-UHFFFAOYSA-N
MW264.32 g/mol
LogP4.18
Rot. Bonds4

About 1-[2-(2-methylprop-1-enyl)phenyl]-2-phenylethane-1,2-dione

1-[2-(2-methylprop-1-enyl)phenyl]-2-phenylethane-1,2-dione (PubChem CID 102031724) has the molecular formula C18H16O2 and a molecular weight of 264.32 g/mol. Its IUPAC name is 1-[2-(2-methylprop-1-enyl)phenyl]-2-phenylethane-1,2-dione.

Molecular Properties

Compound Name1-[2-(2-methylprop-1-enyl)phenyl]-2-phenylethane-1,2-dione
PubChem CID102031724
Molecular FormulaC18H16O2
Molecular Weight264.32 g/mol
Exact Mass264.12
IUPAC Name1-[2-(2-methylprop-1-enyl)phenyl]-2-phenylethane-1,2-dione
SMILESCC(C)=Cc1ccccc1C(=O)C(=O)c1ccccc1
InChIInChI=1S/C18H16O2/c1-13(2)12-15-10-6-7-11-16(15)18(20)17(19)14-8-4-3-5-9-14/h3-12H,1-2H3
InChIKeySVJYBGDPIOKSNM-UHFFFAOYSA-N
XLogP4.18
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 54.18
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-(2-ethenylphenyl)-2-phenylethane-1,2-dione;hydrochloride
CID 172775927
1-phenyl-2-[2-(2-phenylethenyl)phenyl]ethane-1,2-dione
CID 141311966
ethane;1-phenylpropane-1,2-dione
CID 91588764
bis(1,2-diphenylethane-1,2-dione);hydrogen peroxide
CID 18415505
1-(2,3-diacetylphenyl)-2-phenylethane-1,2-dione
CID 54447040
bis(1,2-diphenylethane-1,2-dione);dihydrochloride
CID 67930699
1,2-diphenylethane-1,2-dione bromide
CID 86754555
1,2-diphenylethane-1,2-dione;hydrofluoride
CID 158476796
1,2-diphenylethane-1,2-dione;iron
CID 70488368
1,2-diphenylethane-1,2-dione;sulfane
CID 159672950
benzene;ethane;1-methyl-2-(2-methylprop-1-enyl)benzene
CID 144639766
bis(1-(2,3-dimethylphenyl)-2-phenylethane-1,2-dione);tris(1,2-diphenylethane-1,2-dione)
CID 173395381

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methylprop-1-enyl)phenyl]-2-phenylethane-1,2-dione?
The IUPAC name of 1-[2-(2-methylprop-1-enyl)phenyl]-2-phenylethane-1,2-dione (CID 102031724) is 1-[2-(2-methylprop-1-enyl)phenyl]-2-phenylethane-1,2-dione.
What is the SMILES notation for 1-[2-(2-methylprop-1-enyl)phenyl]-2-phenylethane-1,2-dione?
The canonical SMILES for 1-[2-(2-methylprop-1-enyl)phenyl]-2-phenylethane-1,2-dione is CC(C)=Cc1ccccc1C(=O)C(=O)c1ccccc1.
What is the InChIKey of 1-[2-(2-methylprop-1-enyl)phenyl]-2-phenylethane-1,2-dione?
The InChIKey is SVJYBGDPIOKSNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O2/c1-13(2)12-15-10-6-7-11-16(15)18(20)17(19)14-8-4-3-5-9-14/h3-12H,1-2H3.
What are the key properties of 1-[2-(2-methylprop-1-enyl)phenyl]-2-phenylethane-1,2-dione?
1-[2-(2-methylprop-1-enyl)phenyl]-2-phenylethane-1,2-dione has a molecular weight of 264.32 g/mol, XLogP of 4.18, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methylprop-1-enyl)phenyl]-2-phenylethane-1,2-dione is sourced from PubChem (CID 102031724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).