(E)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-3-(4-methoxyphenyl)prop-2-en-1-one

C19H15FO3 — CID 6139067

IUPAC(E)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-3-(4-methoxyphenyl)prop-2-en-1-one
SMILESCOc1ccc(/C=C/C(=O)c2oc3ccc(F)cc3c2C)cc1
InChIInChI=1S/C19H15FO3/c1-12-16-11-14(20)6-10-18(16)23-19(12)17(21)9-5-13-3-7-15(22-2)8-4-13/h3-11H,1-2H3/b9-5+
InChIKeyADFOXEOWTQCKTH-WEVVVXLNSA-N
MW310.32 g/mol
LogP4.79
Rot. Bonds4

About (E)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-3-(4-methoxyphenyl)prop-2-en-1-one

(E)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-3-(4-methoxyphenyl)prop-2-en-1-one (PubChem CID 6139067) has the molecular formula C19H15FO3 and a molecular weight of 310.32 g/mol. Its IUPAC name is (E)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-3-(4-methoxyphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-3-(4-methoxyphenyl)prop-2-en-1-one
PubChem CID6139067
Molecular FormulaC19H15FO3
Molecular Weight310.32 g/mol
Exact Mass310.10
IUPAC Name(E)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-3-(4-methoxyphenyl)prop-2-en-1-one
SMILESCOc1ccc(/C=C/C(=O)c2oc3ccc(F)cc3c2C)cc1
InChIInChI=1S/C19H15FO3/c1-12-16-11-14(20)6-10-18(16)23-19(12)17(21)9-5-13-3-7-15(22-2)8-4-13/h3-11H,1-2H3/b9-5+
InChIKeyADFOXEOWTQCKTH-WEVVVXLNSA-N
XLogP4.79
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.32
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-3-(4-methoxyphenyl)prop-2-en-1-one?
The IUPAC name of (E)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-3-(4-methoxyphenyl)prop-2-en-1-one (CID 6139067) is (E)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-3-(4-methoxyphenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-3-(4-methoxyphenyl)prop-2-en-1-one?
The canonical SMILES for (E)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-3-(4-methoxyphenyl)prop-2-en-1-one is COc1ccc(/C=C/C(=O)c2oc3ccc(F)cc3c2C)cc1.
What is the InChIKey of (E)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-3-(4-methoxyphenyl)prop-2-en-1-one?
The InChIKey is ADFOXEOWTQCKTH-WEVVVXLNSA-N. The full InChI is InChI=1S/C19H15FO3/c1-12-16-11-14(20)6-10-18(16)23-19(12)17(21)9-5-13-3-7-15(22-2)8-4-13/h3-11H,1-2H3/b9-5+.
What are the key properties of (E)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-3-(4-methoxyphenyl)prop-2-en-1-one?
(E)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-3-(4-methoxyphenyl)prop-2-en-1-one has a molecular weight of 310.32 g/mol, XLogP of 4.79, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-3-(4-methoxyphenyl)prop-2-en-1-one is sourced from PubChem (CID 6139067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).