methyl 2-(4-fluorophenyl)-5-prop-2-enoxy-1-benzofuran-3-carboxylate

C19H15FO4 — CID 68719193

IUPACmethyl 2-(4-fluorophenyl)-5-prop-2-enoxy-1-benzofuran-3-carboxylate
SMILESC=CCOc1ccc2oc(-c3ccc(F)cc3)c(C(=O)OC)c2c1
InChIInChI=1S/C19H15FO4/c1-3-10-23-14-8-9-16-15(11-14)17(19(21)22-2)18(24-16)12-4-6-13(20)7-5-12/h3-9,11H,1,10H2,2H3
InChIKeyCASLIEGBDFFAMI-UHFFFAOYSA-N
MW326.32 g/mol
LogP4.59
Rot. Bonds5

About methyl 2-(4-fluorophenyl)-5-prop-2-enoxy-1-benzofuran-3-carboxylate

methyl 2-(4-fluorophenyl)-5-prop-2-enoxy-1-benzofuran-3-carboxylate (PubChem CID 68719193) has the molecular formula C19H15FO4 and a molecular weight of 326.32 g/mol. Its IUPAC name is methyl 2-(4-fluorophenyl)-5-prop-2-enoxy-1-benzofuran-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-(4-fluorophenyl)-5-prop-2-enoxy-1-benzofuran-3-carboxylate
PubChem CID68719193
Molecular FormulaC19H15FO4
Molecular Weight326.32 g/mol
Exact Mass326.10
IUPAC Namemethyl 2-(4-fluorophenyl)-5-prop-2-enoxy-1-benzofuran-3-carboxylate
SMILESC=CCOc1ccc2oc(-c3ccc(F)cc3)c(C(=O)OC)c2c1
InChIInChI=1S/C19H15FO4/c1-3-10-23-14-8-9-16-15(11-14)17(19(21)22-2)18(24-16)12-4-6-13(20)7-5-12/h3-9,11H,1,10H2,2H3
InChIKeyCASLIEGBDFFAMI-UHFFFAOYSA-N
XLogP4.59
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.32
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-fluorophenyl)-5-prop-2-enoxy-1-benzofuran-3-carboxylate?
The IUPAC name of methyl 2-(4-fluorophenyl)-5-prop-2-enoxy-1-benzofuran-3-carboxylate (CID 68719193) is methyl 2-(4-fluorophenyl)-5-prop-2-enoxy-1-benzofuran-3-carboxylate.
What is the SMILES notation for methyl 2-(4-fluorophenyl)-5-prop-2-enoxy-1-benzofuran-3-carboxylate?
The canonical SMILES for methyl 2-(4-fluorophenyl)-5-prop-2-enoxy-1-benzofuran-3-carboxylate is C=CCOc1ccc2oc(-c3ccc(F)cc3)c(C(=O)OC)c2c1.
What is the InChIKey of methyl 2-(4-fluorophenyl)-5-prop-2-enoxy-1-benzofuran-3-carboxylate?
The InChIKey is CASLIEGBDFFAMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FO4/c1-3-10-23-14-8-9-16-15(11-14)17(19(21)22-2)18(24-16)12-4-6-13(20)7-5-12/h3-9,11H,1,10H2,2H3.
What are the key properties of methyl 2-(4-fluorophenyl)-5-prop-2-enoxy-1-benzofuran-3-carboxylate?
methyl 2-(4-fluorophenyl)-5-prop-2-enoxy-1-benzofuran-3-carboxylate has a molecular weight of 326.32 g/mol, XLogP of 4.59, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-fluorophenyl)-5-prop-2-enoxy-1-benzofuran-3-carboxylate is sourced from PubChem (CID 68719193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).