(1,3-dioxo-1,3-diphenylpropan-2-yl) (Z)-3-(furan-2-yl)prop-2-enoate

C22H16O5 — CID 2423576

IUPAC(1,3-dioxo-1,3-diphenylpropan-2-yl) (Z)-3-(furan-2-yl)prop-2-enoate
SMILESO=C(/C=C\c1ccco1)OC(C(=O)c1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C22H16O5/c23-19(14-13-18-12-7-15-26-18)27-22(20(24)16-8-3-1-4-9-16)21(25)17-10-5-2-6-11-17/h1-15,22H/b14-13-
InChIKeyMOJKTSKFXSQWHB-YPKPFQOOSA-N
MW360.37 g/mol
LogP3.97
Rot. Bonds7

About (1,3-dioxo-1,3-diphenylpropan-2-yl) (Z)-3-(furan-2-yl)prop-2-enoate

(1,3-dioxo-1,3-diphenylpropan-2-yl) (Z)-3-(furan-2-yl)prop-2-enoate (PubChem CID 2423576) has the molecular formula C22H16O5 and a molecular weight of 360.37 g/mol. Its IUPAC name is (1,3-dioxo-1,3-diphenylpropan-2-yl) (Z)-3-(furan-2-yl)prop-2-enoate.

Molecular Properties

Compound Name(1,3-dioxo-1,3-diphenylpropan-2-yl) (Z)-3-(furan-2-yl)prop-2-enoate
PubChem CID2423576
Molecular FormulaC22H16O5
Molecular Weight360.37 g/mol
Exact Mass360.10
IUPAC Name(1,3-dioxo-1,3-diphenylpropan-2-yl) (Z)-3-(furan-2-yl)prop-2-enoate
SMILESO=C(/C=C\c1ccco1)OC(C(=O)c1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C22H16O5/c23-19(14-13-18-12-7-15-26-18)27-22(20(24)16-8-3-1-4-9-16)21(25)17-10-5-2-6-11-17/h1-15,22H/b14-13-
InChIKeyMOJKTSKFXSQWHB-YPKPFQOOSA-N
XLogP3.97
TPSA73.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

[(2R)-1-amino-1-oxopropan-2-yl] (E)-3-(furan-2-yl)prop-2-enoate
CID 7860502
(2-formylphenyl) 3-(furan-2-yl)prop-2-enoate
CID 888865
[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] (E)-3-(furan-2-yl)prop-2-enoate
CID 7696873
3-(furan-2-yl)prop-2-enoic acid
CID 159116571
(2-propan-2-ylphenyl) (E)-3-(furan-2-yl)prop-2-enoate
CID 918034
(2S)-2-amino-3-[3-(furan-2-yl)prop-2-enoyloxy]propanoic acid
CID 165357082
[3-[3-(furan-2-yl)prop-2-enoyloxy]-2-oxopropyl] 3-(furan-2-yl)prop-2-enoate
CID 3400070
(2-benzylphenyl) (E)-3-(furan-2-yl)prop-2-enoate
CID 2397583
(1E,4Z)-1-(furan-2-yl)-5-phenylpenta-1,4-dien-3-one
CID 92904073
[1-oxo-1-(4-phenoxyanilino)propan-2-yl] (E)-3-(furan-2-yl)prop-2-enoate
CID 6254540
CID 59090942
CID 59090942
[(2S)-1-(2,5-dimethylphenyl)-1-oxopropan-2-yl] (E)-3-(furan-2-yl)prop-2-enoate
CID 7852243

Frequently Asked Questions

What is the IUPAC name of (1,3-dioxo-1,3-diphenylpropan-2-yl) (Z)-3-(furan-2-yl)prop-2-enoate?
The IUPAC name of (1,3-dioxo-1,3-diphenylpropan-2-yl) (Z)-3-(furan-2-yl)prop-2-enoate (CID 2423576) is (1,3-dioxo-1,3-diphenylpropan-2-yl) (Z)-3-(furan-2-yl)prop-2-enoate.
What is the SMILES notation for (1,3-dioxo-1,3-diphenylpropan-2-yl) (Z)-3-(furan-2-yl)prop-2-enoate?
The canonical SMILES for (1,3-dioxo-1,3-diphenylpropan-2-yl) (Z)-3-(furan-2-yl)prop-2-enoate is O=C(/C=C\c1ccco1)OC(C(=O)c1ccccc1)C(=O)c1ccccc1.
What is the InChIKey of (1,3-dioxo-1,3-diphenylpropan-2-yl) (Z)-3-(furan-2-yl)prop-2-enoate?
The InChIKey is MOJKTSKFXSQWHB-YPKPFQOOSA-N. The full InChI is InChI=1S/C22H16O5/c23-19(14-13-18-12-7-15-26-18)27-22(20(24)16-8-3-1-4-9-16)21(25)17-10-5-2-6-11-17/h1-15,22H/b14-13-.
What are the key properties of (1,3-dioxo-1,3-diphenylpropan-2-yl) (Z)-3-(furan-2-yl)prop-2-enoate?
(1,3-dioxo-1,3-diphenylpropan-2-yl) (Z)-3-(furan-2-yl)prop-2-enoate has a molecular weight of 360.37 g/mol, XLogP of 3.97, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dioxo-1,3-diphenylpropan-2-yl) (Z)-3-(furan-2-yl)prop-2-enoate is sourced from PubChem (CID 2423576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).