(E)-3-[5-[(4-fluorophenoxy)methyl]furan-2-yl]-1-thiophen-2-ylprop-2-en-1-one

C18H13FO3S — CID 19544704

IUPAC(E)-3-[5-[(4-fluorophenoxy)methyl]furan-2-yl]-1-thiophen-2-ylprop-2-en-1-one
SMILESO=C(/C=C/c1ccc(COc2ccc(F)cc2)o1)c1cccs1
InChIInChI=1S/C18H13FO3S/c19-13-3-5-14(6-4-13)21-12-16-8-7-15(22-16)9-10-17(20)18-2-1-11-23-18/h1-11H,12H2/b10-9+
InChIKeyQVGGGOXMHUJXJT-MDZDMXLPSA-N
MW328.36 g/mol
LogP4.96
Rot. Bonds6

About (E)-3-[5-[(4-fluorophenoxy)methyl]furan-2-yl]-1-thiophen-2-ylprop-2-en-1-one

(E)-3-[5-[(4-fluorophenoxy)methyl]furan-2-yl]-1-thiophen-2-ylprop-2-en-1-one (PubChem CID 19544704) has the molecular formula C18H13FO3S and a molecular weight of 328.36 g/mol. Its IUPAC name is (E)-3-[5-[(4-fluorophenoxy)methyl]furan-2-yl]-1-thiophen-2-ylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-[5-[(4-fluorophenoxy)methyl]furan-2-yl]-1-thiophen-2-ylprop-2-en-1-one
PubChem CID19544704
Molecular FormulaC18H13FO3S
Molecular Weight328.36 g/mol
Exact Mass328.06
IUPAC Name(E)-3-[5-[(4-fluorophenoxy)methyl]furan-2-yl]-1-thiophen-2-ylprop-2-en-1-one
SMILESO=C(/C=C/c1ccc(COc2ccc(F)cc2)o1)c1cccs1
InChIInChI=1S/C18H13FO3S/c19-13-3-5-14(6-4-13)21-12-16-8-7-15(22-16)9-10-17(20)18-2-1-11-23-18/h1-11H,12H2/b10-9+
InChIKeyQVGGGOXMHUJXJT-MDZDMXLPSA-N
XLogP4.96
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.36
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-3-[5-[(4-fluorophenoxy)methyl]furan-2-yl]-1-thiophen-2-ylprop-2-en-1-one?
The IUPAC name of (E)-3-[5-[(4-fluorophenoxy)methyl]furan-2-yl]-1-thiophen-2-ylprop-2-en-1-one (CID 19544704) is (E)-3-[5-[(4-fluorophenoxy)methyl]furan-2-yl]-1-thiophen-2-ylprop-2-en-1-one.
What is the SMILES notation for (E)-3-[5-[(4-fluorophenoxy)methyl]furan-2-yl]-1-thiophen-2-ylprop-2-en-1-one?
The canonical SMILES for (E)-3-[5-[(4-fluorophenoxy)methyl]furan-2-yl]-1-thiophen-2-ylprop-2-en-1-one is O=C(/C=C/c1ccc(COc2ccc(F)cc2)o1)c1cccs1.
What is the InChIKey of (E)-3-[5-[(4-fluorophenoxy)methyl]furan-2-yl]-1-thiophen-2-ylprop-2-en-1-one?
The InChIKey is QVGGGOXMHUJXJT-MDZDMXLPSA-N. The full InChI is InChI=1S/C18H13FO3S/c19-13-3-5-14(6-4-13)21-12-16-8-7-15(22-16)9-10-17(20)18-2-1-11-23-18/h1-11H,12H2/b10-9+.
What are the key properties of (E)-3-[5-[(4-fluorophenoxy)methyl]furan-2-yl]-1-thiophen-2-ylprop-2-en-1-one?
(E)-3-[5-[(4-fluorophenoxy)methyl]furan-2-yl]-1-thiophen-2-ylprop-2-en-1-one has a molecular weight of 328.36 g/mol, XLogP of 4.96, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[5-[(4-fluorophenoxy)methyl]furan-2-yl]-1-thiophen-2-ylprop-2-en-1-one is sourced from PubChem (CID 19544704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).