(3-oxo-2,4,5-triphenylfuran-2-yl) acetate

C24H18O4 — CID 25194923

IUPAC(3-oxo-2,4,5-triphenylfuran-2-yl) acetate
SMILESCC(=O)OC1(c2ccccc2)OC(c2ccccc2)=C(c2ccccc2)C1=O
InChIInChI=1S/C24H18O4/c1-17(25)27-24(20-15-9-4-10-16-20)23(26)21(18-11-5-2-6-12-18)22(28-24)19-13-7-3-8-14-19/h2-16H,1H3
InChIKeyMQLYWSUEVABDMZ-UHFFFAOYSA-N
MW370.40 g/mol
LogP4.57
Rot. Bonds4

About (3-oxo-2,4,5-triphenylfuran-2-yl) acetate

(3-oxo-2,4,5-triphenylfuran-2-yl) acetate (PubChem CID 25194923) has the molecular formula C24H18O4 and a molecular weight of 370.40 g/mol. Its IUPAC name is (3-oxo-2,4,5-triphenylfuran-2-yl) acetate.

Molecular Properties

Compound Name(3-oxo-2,4,5-triphenylfuran-2-yl) acetate
PubChem CID25194923
Molecular FormulaC24H18O4
Molecular Weight370.40 g/mol
Exact Mass370.12
IUPAC Name(3-oxo-2,4,5-triphenylfuran-2-yl) acetate
SMILESCC(=O)OC1(c2ccccc2)OC(c2ccccc2)=C(c2ccccc2)C1=O
InChIInChI=1S/C24H18O4/c1-17(25)27-24(20-15-9-4-10-16-20)23(26)21(18-11-5-2-6-12-18)22(28-24)19-13-7-3-8-14-19/h2-16H,1H3
InChIKeyMQLYWSUEVABDMZ-UHFFFAOYSA-N
XLogP4.57
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.40
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methylpropoxy)-2,4,5-triphenylfuran-3-one
CID 102397437
(1-phenylcyclopropyl) acetate
CID 121216912
(3,6-dimethyl-2,5-diphenyl-2H-1,4-dioxin-3-yl) acetate
CID 575749
methyl (Z)-3-[(5-oxo-2,6,7-triphenyl-3,4-dihydro-1,4-oxazepin-2-yl)oxy]-2,3-diphenylprop-2-enoate
CID 56838578
2-tert-butyl-2-methyl-5,6-diphenyl-1,3-dioxin-4-one
CID 171987741
4-(5,5-dimethyl-4-oxo-2-phenylfuran-3-yl)benzenesulfonamide
CID 142769907
5-acetyl-2,2-dimethyl-6-phenyl-1,3-dioxin-4-one
CID 10681851
(4-methyl-2-phenyl-3,1-benzoxazin-4-yl) acetate
CID 175467797
ethyl (E)-3-[(2R)-5-oxo-2,3,4-triphenylfuran-2-yl]prop-2-enoate
CID 154720830
1-O-ethyl 2-O-[(1S,5R)-5-methyl-4-oxo-1,2,3-triphenylcyclopent-2-en-1-yl] oxalate
CID 91163780
2,2-dimethoxy-4,5-diphenylcyclopent-4-ene-1,3-dione
CID 135004291
3,6-dimethyl-2,3a,5,6a-tetraphenylfuro[3,2-b]furan
CID 15650118

Frequently Asked Questions

What is the IUPAC name of (3-oxo-2,4,5-triphenylfuran-2-yl) acetate?
The IUPAC name of (3-oxo-2,4,5-triphenylfuran-2-yl) acetate (CID 25194923) is (3-oxo-2,4,5-triphenylfuran-2-yl) acetate.
What is the SMILES notation for (3-oxo-2,4,5-triphenylfuran-2-yl) acetate?
The canonical SMILES for (3-oxo-2,4,5-triphenylfuran-2-yl) acetate is CC(=O)OC1(c2ccccc2)OC(c2ccccc2)=C(c2ccccc2)C1=O.
What is the InChIKey of (3-oxo-2,4,5-triphenylfuran-2-yl) acetate?
The InChIKey is MQLYWSUEVABDMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18O4/c1-17(25)27-24(20-15-9-4-10-16-20)23(26)21(18-11-5-2-6-12-18)22(28-24)19-13-7-3-8-14-19/h2-16H,1H3.
What are the key properties of (3-oxo-2,4,5-triphenylfuran-2-yl) acetate?
(3-oxo-2,4,5-triphenylfuran-2-yl) acetate has a molecular weight of 370.40 g/mol, XLogP of 4.57, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-oxo-2,4,5-triphenylfuran-2-yl) acetate is sourced from PubChem (CID 25194923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).