3-hydroxy-5-methoxy-5-phenacyl-4-phenylfuran-2-one

C19H16O5 — CID 42604569

IUPAC3-hydroxy-5-methoxy-5-phenacyl-4-phenylfuran-2-one
SMILESCOC1(CC(=O)c2ccccc2)OC(=O)C(O)=C1c1ccccc1
InChIInChI=1S/C19H16O5/c1-23-19(12-15(20)13-8-4-2-5-9-13)16(17(21)18(22)24-19)14-10-6-3-7-11-14/h2-11,21H,12H2,1H3
InChIKeyZSQDINYGPVLTCM-UHFFFAOYSA-N
MW324.33 g/mol
LogP3.13
Rot. Bonds5

About 3-hydroxy-5-methoxy-5-phenacyl-4-phenylfuran-2-one

3-hydroxy-5-methoxy-5-phenacyl-4-phenylfuran-2-one (PubChem CID 42604569) has the molecular formula C19H16O5 and a molecular weight of 324.33 g/mol. Its IUPAC name is 3-hydroxy-5-methoxy-5-phenacyl-4-phenylfuran-2-one.

Molecular Properties

Compound Name3-hydroxy-5-methoxy-5-phenacyl-4-phenylfuran-2-one
PubChem CID42604569
Molecular FormulaC19H16O5
Molecular Weight324.33 g/mol
Exact Mass324.10
IUPAC Name3-hydroxy-5-methoxy-5-phenacyl-4-phenylfuran-2-one
SMILESCOC1(CC(=O)c2ccccc2)OC(=O)C(O)=C1c1ccccc1
InChIInChI=1S/C19H16O5/c1-23-19(12-15(20)13-8-4-2-5-9-13)16(17(21)18(22)24-19)14-10-6-3-7-11-14/h2-11,21H,12H2,1H3
InChIKeyZSQDINYGPVLTCM-UHFFFAOYSA-N
XLogP3.13
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.33
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-hydroxy-5-methoxy-5-phenacyl-4-phenylfuran-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Vulpinic Acid
CID 54690323
Methyl 2-(3,5-dioxo-4-phenyl-2-furylidene)-2-phenylacetate
CID 54699186
Ethanone, 2,2-diethoxy-1,2-diphenyl-
CID 3084853
Flavipesin B
CID 127035651
(4-hexadecanoyl-3-hydroxy-5-oxo-2H-furan-2-yl)methyl 4-benzoylbenzoate
CID 66848959
3,4-Dihydroxy-2,5-diphenyl-2,4-hexa-dienedioic acid methyl ester 3,6-lactone
CID 54684634
diethyl (2Z,4Z)-2-hydroxy-5-phenylhexa-2,4-dienedioate
CID 54733809
3-[[3-(3-carboxyphenyl)-4-hydroxy-5-oxo-2H-furan-2-yl]methyl]benzoic acid
CID 163073647
2-Hydroxy-2-(2-oxo-2-phenylethyl)-5-phenyl-3(2H)-furanone
CID 550436
Benzeneacetic acid, alpha-(3-hydroxy-4-(2-methylphenyl)-5-oxo-2(5H)-furanylidene)-2-methyl-, methyl ester
CID 54675947
Benzeneacetic acid, alpha-(3-hydroxy-4-(3-methylphenyl)-5-oxo-2(5H)-furanylidene)-3-methyl-, methyl ester
CID 54675948
Benzeneacetic acid, alpha-(3-hydroxy-4-(4-methylphenyl)-5-oxo-2(5H)-furanylidene)-4-methyl-, methyl ester, (E)-
CID 54675949

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-5-methoxy-5-phenacyl-4-phenylfuran-2-one?
The IUPAC name of 3-hydroxy-5-methoxy-5-phenacyl-4-phenylfuran-2-one (CID 42604569) is 3-hydroxy-5-methoxy-5-phenacyl-4-phenylfuran-2-one.
What is the SMILES notation for 3-hydroxy-5-methoxy-5-phenacyl-4-phenylfuran-2-one?
The canonical SMILES for 3-hydroxy-5-methoxy-5-phenacyl-4-phenylfuran-2-one is COC1(CC(=O)c2ccccc2)OC(=O)C(O)=C1c1ccccc1.
What is the InChIKey of 3-hydroxy-5-methoxy-5-phenacyl-4-phenylfuran-2-one?
The InChIKey is ZSQDINYGPVLTCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O5/c1-23-19(12-15(20)13-8-4-2-5-9-13)16(17(21)18(22)24-19)14-10-6-3-7-11-14/h2-11,21H,12H2,1H3.
What are the key properties of 3-hydroxy-5-methoxy-5-phenacyl-4-phenylfuran-2-one?
3-hydroxy-5-methoxy-5-phenacyl-4-phenylfuran-2-one has a molecular weight of 324.33 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-5-methoxy-5-phenacyl-4-phenylfuran-2-one is sourced from PubChem (CID 42604569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).