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

C20H18O6 — CID 10089473

IUPAC(E)-1-(6-hydroxy-4,7-dimethoxy-1-benzofuran-5-yl)-3-(3-methoxyphenyl)prop-2-en-1-one
SMILESCOc1cccc(/C=C/C(=O)c2c(O)c(OC)c3occc3c2OC)c1
InChIInChI=1S/C20H18O6/c1-23-13-6-4-5-12(11-13)7-8-15(21)16-17(22)20(25-3)19-14(9-10-26-19)18(16)24-2/h4-11,22H,1-3H3/b8-7+
InChIKeyNZQFVFZKSNUANG-BQYQJAHWSA-N
MW354.36 g/mol
LogP4.06
Rot. Bonds6

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

(E)-1-(6-hydroxy-4,7-dimethoxy-1-benzofuran-5-yl)-3-(3-methoxyphenyl)prop-2-en-1-one (PubChem CID 10089473) has the molecular formula C20H18O6 and a molecular weight of 354.36 g/mol. Its IUPAC name is (E)-1-(6-hydroxy-4,7-dimethoxy-1-benzofuran-5-yl)-3-(3-methoxyphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(6-hydroxy-4,7-dimethoxy-1-benzofuran-5-yl)-3-(3-methoxyphenyl)prop-2-en-1-one
PubChem CID10089473
Molecular FormulaC20H18O6
Molecular Weight354.36 g/mol
Exact Mass354.11
IUPAC Name(E)-1-(6-hydroxy-4,7-dimethoxy-1-benzofuran-5-yl)-3-(3-methoxyphenyl)prop-2-en-1-one
SMILESCOc1cccc(/C=C/C(=O)c2c(O)c(OC)c3occc3c2OC)c1
InChIInChI=1S/C20H18O6/c1-23-13-6-4-5-12(11-13)7-8-15(21)16-17(22)20(25-3)19-14(9-10-26-19)18(16)24-2/h4-11,22H,1-3H3/b8-7+
InChIKeyNZQFVFZKSNUANG-BQYQJAHWSA-N
XLogP4.06
TPSA78.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 54.06
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-(3-methoxyphenyl)prop-2-en-1-one?
The IUPAC name of (E)-1-(6-hydroxy-4,7-dimethoxy-1-benzofuran-5-yl)-3-(3-methoxyphenyl)prop-2-en-1-one (CID 10089473) is (E)-1-(6-hydroxy-4,7-dimethoxy-1-benzofuran-5-yl)-3-(3-methoxyphenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-1-(6-hydroxy-4,7-dimethoxy-1-benzofuran-5-yl)-3-(3-methoxyphenyl)prop-2-en-1-one?
The canonical SMILES for (E)-1-(6-hydroxy-4,7-dimethoxy-1-benzofuran-5-yl)-3-(3-methoxyphenyl)prop-2-en-1-one is COc1cccc(/C=C/C(=O)c2c(O)c(OC)c3occc3c2OC)c1.
What is the InChIKey of (E)-1-(6-hydroxy-4,7-dimethoxy-1-benzofuran-5-yl)-3-(3-methoxyphenyl)prop-2-en-1-one?
The InChIKey is NZQFVFZKSNUANG-BQYQJAHWSA-N. The full InChI is InChI=1S/C20H18O6/c1-23-13-6-4-5-12(11-13)7-8-15(21)16-17(22)20(25-3)19-14(9-10-26-19)18(16)24-2/h4-11,22H,1-3H3/b8-7+.
What are the key properties of (E)-1-(6-hydroxy-4,7-dimethoxy-1-benzofuran-5-yl)-3-(3-methoxyphenyl)prop-2-en-1-one?
(E)-1-(6-hydroxy-4,7-dimethoxy-1-benzofuran-5-yl)-3-(3-methoxyphenyl)prop-2-en-1-one has a molecular weight of 354.36 g/mol, XLogP of 4.06, 6 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-(3-methoxyphenyl)prop-2-en-1-one is sourced from PubChem (CID 10089473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).