ethyl 2-(2,3-dihydro-1-benzofuran-4-yl)-3-(4-fluorophenyl)prop-2-enoate

C19H17FO3 — CID 57058386

IUPACethyl 2-(2,3-dihydro-1-benzofuran-4-yl)-3-(4-fluorophenyl)prop-2-enoate
SMILESCCOC(=O)C(=Cc1ccc(F)cc1)c1cccc2c1CCO2
InChIInChI=1S/C19H17FO3/c1-2-22-19(21)17(12-13-6-8-14(20)9-7-13)15-4-3-5-18-16(15)10-11-23-18/h3-9,12H,2,10-11H2,1H3
InChIKeyFVGAGCGPLVLZJX-UHFFFAOYSA-N
MW312.34 g/mol
LogP3.86
Rot. Bonds4

About ethyl 2-(2,3-dihydro-1-benzofuran-4-yl)-3-(4-fluorophenyl)prop-2-enoate

ethyl 2-(2,3-dihydro-1-benzofuran-4-yl)-3-(4-fluorophenyl)prop-2-enoate (PubChem CID 57058386) has the molecular formula C19H17FO3 and a molecular weight of 312.34 g/mol. Its IUPAC name is ethyl 2-(2,3-dihydro-1-benzofuran-4-yl)-3-(4-fluorophenyl)prop-2-enoate.

Molecular Properties

Compound Nameethyl 2-(2,3-dihydro-1-benzofuran-4-yl)-3-(4-fluorophenyl)prop-2-enoate
PubChem CID57058386
Molecular FormulaC19H17FO3
Molecular Weight312.34 g/mol
Exact Mass312.12
IUPAC Nameethyl 2-(2,3-dihydro-1-benzofuran-4-yl)-3-(4-fluorophenyl)prop-2-enoate
SMILESCCOC(=O)C(=Cc1ccc(F)cc1)c1cccc2c1CCO2
InChIInChI=1S/C19H17FO3/c1-2-22-19(21)17(12-13-6-8-14(20)9-7-13)15-4-3-5-18-16(15)10-11-23-18/h3-9,12H,2,10-11H2,1H3
InChIKeyFVGAGCGPLVLZJX-UHFFFAOYSA-N
XLogP3.86
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,3-dihydro-1-benzofuran-4-yl)-3-(4-fluorophenyl)prop-2-enoate?
The IUPAC name of ethyl 2-(2,3-dihydro-1-benzofuran-4-yl)-3-(4-fluorophenyl)prop-2-enoate (CID 57058386) is ethyl 2-(2,3-dihydro-1-benzofuran-4-yl)-3-(4-fluorophenyl)prop-2-enoate.
What is the SMILES notation for ethyl 2-(2,3-dihydro-1-benzofuran-4-yl)-3-(4-fluorophenyl)prop-2-enoate?
The canonical SMILES for ethyl 2-(2,3-dihydro-1-benzofuran-4-yl)-3-(4-fluorophenyl)prop-2-enoate is CCOC(=O)C(=Cc1ccc(F)cc1)c1cccc2c1CCO2.
What is the InChIKey of ethyl 2-(2,3-dihydro-1-benzofuran-4-yl)-3-(4-fluorophenyl)prop-2-enoate?
The InChIKey is FVGAGCGPLVLZJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FO3/c1-2-22-19(21)17(12-13-6-8-14(20)9-7-13)15-4-3-5-18-16(15)10-11-23-18/h3-9,12H,2,10-11H2,1H3.
What are the key properties of ethyl 2-(2,3-dihydro-1-benzofuran-4-yl)-3-(4-fluorophenyl)prop-2-enoate?
ethyl 2-(2,3-dihydro-1-benzofuran-4-yl)-3-(4-fluorophenyl)prop-2-enoate has a molecular weight of 312.34 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,3-dihydro-1-benzofuran-4-yl)-3-(4-fluorophenyl)prop-2-enoate is sourced from PubChem (CID 57058386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).