2-hydroxy-2-phenacyl-5-phenylfuran-3-one

C18H14O4 — CID 550436

IUPAC2-hydroxy-2-phenacyl-5-phenylfuran-3-one
SMILESO=C(CC1(O)OC(c2ccccc2)=CC1=O)c1ccccc1
InChIInChI=1S/C18H14O4/c19-15(13-7-3-1-4-8-13)12-18(21)17(20)11-16(22-18)14-9-5-2-6-10-14/h1-11,21H,12H2
InChIKeyKDTHYVPVPSPOSY-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.59
Rot. Bonds4

About 2-hydroxy-2-phenacyl-5-phenylfuran-3-one

2-hydroxy-2-phenacyl-5-phenylfuran-3-one (PubChem CID 550436) has the molecular formula C18H14O4 and a molecular weight of 294.31 g/mol. Its IUPAC name is 2-hydroxy-2-phenacyl-5-phenylfuran-3-one.

Molecular Properties

Compound Name2-hydroxy-2-phenacyl-5-phenylfuran-3-one
PubChem CID550436
Molecular FormulaC18H14O4
Molecular Weight294.31 g/mol
Exact Mass294.09
IUPAC Name2-hydroxy-2-phenacyl-5-phenylfuran-3-one
SMILESO=C(CC1(O)OC(c2ccccc2)=CC1=O)c1ccccc1
InChIInChI=1S/C18H14O4/c19-15(13-7-3-1-4-8-13)12-18(21)17(20)11-16(22-18)14-9-5-2-6-10-14/h1-11,21H,12H2
InChIKeyKDTHYVPVPSPOSY-UHFFFAOYSA-N
XLogP2.59
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-Dimethoxy-2-phenylacetophenone
CID 90571
Ethanone, 2,2-diethoxy-1,2-diphenyl-
CID 3084853
3-Benzoyl-6-phenyl-pyran-2,4-dione
CID 221786
3-benzoyl-4-hydroxy-6-phenyl-2H-pyran-2-one
CID 135447422
2-Methoxy-2,4-diphenyl-3(2H)-furanone
CID 170874
2-oxo-1,2-diphenylethyl 4,6-dimethyl-2-oxo-2H-pyran-5-carboxylate
CID 2935086
(3-Oxo-2,4,5-triphenylfuran-2-yl) acetate
CID 25194923
2-Methoxy-2,4,5-triphenylfuran-3-one
CID 25194947
2-Benzoyloxy-1,4-naphthoquinone
CID 825051
Allantofuranone
CID 42604569
Phenyl-(2-phenyl-1,3-dioxepan-2-yl)methanone
CID 679926
5-(4-Chloro-phenyl)-2-[2-(4-chloro-phenyl)-2-oxo-ethyl]-2-hydroxy-furan-3-one
CID 2783987

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-phenacyl-5-phenylfuran-3-one?
The IUPAC name of 2-hydroxy-2-phenacyl-5-phenylfuran-3-one (CID 550436) is 2-hydroxy-2-phenacyl-5-phenylfuran-3-one.
What is the SMILES notation for 2-hydroxy-2-phenacyl-5-phenylfuran-3-one?
The canonical SMILES for 2-hydroxy-2-phenacyl-5-phenylfuran-3-one is O=C(CC1(O)OC(c2ccccc2)=CC1=O)c1ccccc1.
What is the InChIKey of 2-hydroxy-2-phenacyl-5-phenylfuran-3-one?
The InChIKey is KDTHYVPVPSPOSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O4/c19-15(13-7-3-1-4-8-13)12-18(21)17(20)11-16(22-18)14-9-5-2-6-10-14/h1-11,21H,12H2.
What are the key properties of 2-hydroxy-2-phenacyl-5-phenylfuran-3-one?
2-hydroxy-2-phenacyl-5-phenylfuran-3-one has a molecular weight of 294.31 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-phenacyl-5-phenylfuran-3-one is sourced from PubChem (CID 550436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).