prop-2-enyl 2-oxo-4-phenyl-3-prop-2-enylfuran-3-carboxylate

C17H16O4 — CID 102306364

IUPACprop-2-enyl 2-oxo-4-phenyl-3-prop-2-enylfuran-3-carboxylate
SMILESC=CCOC(=O)C1(CC=C)C(=O)OC=C1c1ccccc1
InChIInChI=1S/C17H16O4/c1-3-10-17(15(18)20-11-4-2)14(12-21-16(17)19)13-8-6-5-7-9-13/h3-9,12H,1-2,10-11H2
InChIKeyRLCWTFRTIWXCAZ-UHFFFAOYSA-N
MW284.31 g/mol
LogP2.88
Rot. Bonds6

About prop-2-enyl 2-oxo-4-phenyl-3-prop-2-enylfuran-3-carboxylate

prop-2-enyl 2-oxo-4-phenyl-3-prop-2-enylfuran-3-carboxylate (PubChem CID 102306364) has the molecular formula C17H16O4 and a molecular weight of 284.31 g/mol. Its IUPAC name is prop-2-enyl 2-oxo-4-phenyl-3-prop-2-enylfuran-3-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl 2-oxo-4-phenyl-3-prop-2-enylfuran-3-carboxylate
PubChem CID102306364
Molecular FormulaC17H16O4
Molecular Weight284.31 g/mol
Exact Mass284.10
IUPAC Nameprop-2-enyl 2-oxo-4-phenyl-3-prop-2-enylfuran-3-carboxylate
SMILESC=CCOC(=O)C1(CC=C)C(=O)OC=C1c1ccccc1
InChIInChI=1S/C17H16O4/c1-3-10-17(15(18)20-11-4-2)14(12-21-16(17)19)13-8-6-5-7-9-13/h3-9,12H,1-2,10-11H2
InChIKeyRLCWTFRTIWXCAZ-UHFFFAOYSA-N
XLogP2.88
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 1-benzyl-2-methyl-3,5-dioxo-4-prop-2-enylpyrazolidine-4-carboxylate
CID 102589141
bis(prop-2-enyl) 5-phenylcyclohexa-2,4-diene-1,1-dicarboxylate
CID 70131463
prop-2-enyl 3-oxo-1-phenyl-2-benzofuran-1-carboxylate
CID 102266534
prop-2-enyl 1,4-dibenzoyl-2-methylpiperazine-2-carboxylate
CID 89318221
[(3-methyl-2-prop-2-enoxybut-2-enyl)-phenylphosphoryl]benzene
CID 15697074
prop-2-enyl 3-phenylbenzoate
CID 22594829
1-O-benzyl 4-O-ethyl 3-oxo-4-prop-2-enylpiperidine-1,4-dicarboxylate
CID 118960435
prop-2-enyl 4-(4-phenylbenzoyl)piperazine-1-carboxylate
CID 108567747
prop-2-enyl 4-(4-phenylphenyl)-1-prop-2-enoxycyclohexa-2,4-diene-1-carboxylate
CID 70364364
benzene-1,2-diol;bis(prop-2-enyl) carbonate
CID 23056283
bis(prop-2-enyl) benzene-1,2-dicarboxylate
CID 8560
prop-2-enyl 2-(triphenyl-lambda5-phosphanylidene)acetate
CID 3653816

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 2-oxo-4-phenyl-3-prop-2-enylfuran-3-carboxylate?
The IUPAC name of prop-2-enyl 2-oxo-4-phenyl-3-prop-2-enylfuran-3-carboxylate (CID 102306364) is prop-2-enyl 2-oxo-4-phenyl-3-prop-2-enylfuran-3-carboxylate.
What is the SMILES notation for prop-2-enyl 2-oxo-4-phenyl-3-prop-2-enylfuran-3-carboxylate?
The canonical SMILES for prop-2-enyl 2-oxo-4-phenyl-3-prop-2-enylfuran-3-carboxylate is C=CCOC(=O)C1(CC=C)C(=O)OC=C1c1ccccc1.
What is the InChIKey of prop-2-enyl 2-oxo-4-phenyl-3-prop-2-enylfuran-3-carboxylate?
The InChIKey is RLCWTFRTIWXCAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O4/c1-3-10-17(15(18)20-11-4-2)14(12-21-16(17)19)13-8-6-5-7-9-13/h3-9,12H,1-2,10-11H2.
What are the key properties of prop-2-enyl 2-oxo-4-phenyl-3-prop-2-enylfuran-3-carboxylate?
prop-2-enyl 2-oxo-4-phenyl-3-prop-2-enylfuran-3-carboxylate has a molecular weight of 284.31 g/mol, XLogP of 2.88, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 2-oxo-4-phenyl-3-prop-2-enylfuran-3-carboxylate is sourced from PubChem (CID 102306364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).