(E)-1-(6-hydroxy-4,7-dimethoxy-1-benzofuran-5-yl)-3-thiophen-2-ylprop-2-en-1-one

C17H14O5S — CID 14683312

IUPAC(E)-1-(6-hydroxy-4,7-dimethoxy-1-benzofuran-5-yl)-3-thiophen-2-ylprop-2-en-1-one
SMILESCOc1c(C(=O)/C=C/c2cccs2)c(O)c(OC)c2occc12
InChIInChI=1S/C17H14O5S/c1-20-15-11-7-8-22-16(11)17(21-2)14(19)13(15)12(18)6-5-10-4-3-9-23-10/h3-9,19H,1-2H3/b6-5+
InChIKeyRAZSHACBCXIZDA-AATRIKPKSA-N
MW330.36 g/mol
LogP4.11
Rot. Bonds5

About (E)-1-(6-hydroxy-4,7-dimethoxy-1-benzofuran-5-yl)-3-thiophen-2-ylprop-2-en-1-one

(E)-1-(6-hydroxy-4,7-dimethoxy-1-benzofuran-5-yl)-3-thiophen-2-ylprop-2-en-1-one (PubChem CID 14683312) has the molecular formula C17H14O5S and a molecular weight of 330.36 g/mol. Its IUPAC name is (E)-1-(6-hydroxy-4,7-dimethoxy-1-benzofuran-5-yl)-3-thiophen-2-ylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(6-hydroxy-4,7-dimethoxy-1-benzofuran-5-yl)-3-thiophen-2-ylprop-2-en-1-one
PubChem CID14683312
Molecular FormulaC17H14O5S
Molecular Weight330.36 g/mol
Exact Mass330.06
IUPAC Name(E)-1-(6-hydroxy-4,7-dimethoxy-1-benzofuran-5-yl)-3-thiophen-2-ylprop-2-en-1-one
SMILESCOc1c(C(=O)/C=C/c2cccs2)c(O)c(OC)c2occc12
InChIInChI=1S/C17H14O5S/c1-20-15-11-7-8-22-16(11)17(21-2)14(19)13(15)12(18)6-5-10-4-3-9-23-10/h3-9,19H,1-2H3/b6-5+
InChIKeyRAZSHACBCXIZDA-AATRIKPKSA-N
XLogP4.11
TPSA68.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-(6-hydroxy-4,7-dimethoxy-1-benzofuran-5-yl)-3-thiophen-2-ylprop-2-en-1-one?
The IUPAC name of (E)-1-(6-hydroxy-4,7-dimethoxy-1-benzofuran-5-yl)-3-thiophen-2-ylprop-2-en-1-one (CID 14683312) is (E)-1-(6-hydroxy-4,7-dimethoxy-1-benzofuran-5-yl)-3-thiophen-2-ylprop-2-en-1-one.
What is the SMILES notation for (E)-1-(6-hydroxy-4,7-dimethoxy-1-benzofuran-5-yl)-3-thiophen-2-ylprop-2-en-1-one?
The canonical SMILES for (E)-1-(6-hydroxy-4,7-dimethoxy-1-benzofuran-5-yl)-3-thiophen-2-ylprop-2-en-1-one is COc1c(C(=O)/C=C/c2cccs2)c(O)c(OC)c2occc12.
What is the InChIKey of (E)-1-(6-hydroxy-4,7-dimethoxy-1-benzofuran-5-yl)-3-thiophen-2-ylprop-2-en-1-one?
The InChIKey is RAZSHACBCXIZDA-AATRIKPKSA-N. The full InChI is InChI=1S/C17H14O5S/c1-20-15-11-7-8-22-16(11)17(21-2)14(19)13(15)12(18)6-5-10-4-3-9-23-10/h3-9,19H,1-2H3/b6-5+.
What are the key properties of (E)-1-(6-hydroxy-4,7-dimethoxy-1-benzofuran-5-yl)-3-thiophen-2-ylprop-2-en-1-one?
(E)-1-(6-hydroxy-4,7-dimethoxy-1-benzofuran-5-yl)-3-thiophen-2-ylprop-2-en-1-one has a molecular weight of 330.36 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(6-hydroxy-4,7-dimethoxy-1-benzofuran-5-yl)-3-thiophen-2-ylprop-2-en-1-one is sourced from PubChem (CID 14683312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).