2,2-dimethyl-4,5-diphenylfuran-3-one

C18H16O2 — CID 102421896

IUPAC2,2-dimethyl-4,5-diphenylfuran-3-one
SMILESCC1(C)OC(c2ccccc2)=C(c2ccccc2)C1=O
InChIInChI=1S/C18H16O2/c1-18(2)17(19)15(13-9-5-3-6-10-13)16(20-18)14-11-7-4-8-12-14/h3-12H,1-2H3
InChIKeyIYVQBSDYUYLTER-UHFFFAOYSA-N
MW264.32 g/mol
LogP3.93
Rot. Bonds2

About 2,2-dimethyl-4,5-diphenylfuran-3-one

2,2-dimethyl-4,5-diphenylfuran-3-one (PubChem CID 102421896) has the molecular formula C18H16O2 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2,2-dimethyl-4,5-diphenylfuran-3-one.

Molecular Properties

Compound Name2,2-dimethyl-4,5-diphenylfuran-3-one
PubChem CID102421896
Molecular FormulaC18H16O2
Molecular Weight264.32 g/mol
Exact Mass264.12
IUPAC Name2,2-dimethyl-4,5-diphenylfuran-3-one
SMILESCC1(C)OC(c2ccccc2)=C(c2ccccc2)C1=O
InChIInChI=1S/C18H16O2/c1-18(2)17(19)15(13-9-5-3-6-10-13)16(20-18)14-11-7-4-8-12-14/h3-12H,1-2H3
InChIKeyIYVQBSDYUYLTER-UHFFFAOYSA-N
XLogP3.93
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

2,2-Dimethoxy-2-phenylacetophenone
CID 90571
Benzoin ethyl ether
CID 101778
Methyl Benzoin
CID 98097
Ethanone, 2-(1-methylethoxy)-1,2-diphenyl-
CID 110912
Benzoin acetate
CID 95416
Betulinan A
CID 180510
Benzoin isobutyl ether
CID 90794
Flavipesin B
CID 127035651
Bullatenone
CID 100464
Betulinan B
CID 3050396
Ethanone, 2,2-diethoxy-1,2-diphenyl-
CID 3084853
Strepantibin A
CID 139053061

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4,5-diphenylfuran-3-one?
The IUPAC name of 2,2-dimethyl-4,5-diphenylfuran-3-one (CID 102421896) is 2,2-dimethyl-4,5-diphenylfuran-3-one.
What is the SMILES notation for 2,2-dimethyl-4,5-diphenylfuran-3-one?
The canonical SMILES for 2,2-dimethyl-4,5-diphenylfuran-3-one is CC1(C)OC(c2ccccc2)=C(c2ccccc2)C1=O.
What is the InChIKey of 2,2-dimethyl-4,5-diphenylfuran-3-one?
The InChIKey is IYVQBSDYUYLTER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O2/c1-18(2)17(19)15(13-9-5-3-6-10-13)16(20-18)14-11-7-4-8-12-14/h3-12H,1-2H3.
What are the key properties of 2,2-dimethyl-4,5-diphenylfuran-3-one?
2,2-dimethyl-4,5-diphenylfuran-3-one has a molecular weight of 264.32 g/mol, XLogP of 3.93, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4,5-diphenylfuran-3-one is sourced from PubChem (CID 102421896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).