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

C19H16O6 — CID 10427344

IUPAC(E)-1-(6-hydroxy-4,7-dimethoxy-1-benzofuran-5-yl)-3-(3-hydroxyphenyl)prop-2-en-1-one
SMILESCOc1c(C(=O)/C=C/c2cccc(O)c2)c(O)c(OC)c2occc12
InChIInChI=1S/C19H16O6/c1-23-17-13-8-9-25-18(13)19(24-2)16(22)15(17)14(21)7-6-11-4-3-5-12(20)10-11/h3-10,20,22H,1-2H3/b7-6+
InChIKeyYKRPDAUNXLJYJK-VOTSOKGWSA-N
MW340.33 g/mol
LogP3.76
Rot. Bonds5

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

(E)-1-(6-hydroxy-4,7-dimethoxy-1-benzofuran-5-yl)-3-(3-hydroxyphenyl)prop-2-en-1-one (PubChem CID 10427344) has the molecular formula C19H16O6 and a molecular weight of 340.33 g/mol. Its IUPAC name is (E)-1-(6-hydroxy-4,7-dimethoxy-1-benzofuran-5-yl)-3-(3-hydroxyphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(6-hydroxy-4,7-dimethoxy-1-benzofuran-5-yl)-3-(3-hydroxyphenyl)prop-2-en-1-one
PubChem CID10427344
Molecular FormulaC19H16O6
Molecular Weight340.33 g/mol
Exact Mass340.09
IUPAC Name(E)-1-(6-hydroxy-4,7-dimethoxy-1-benzofuran-5-yl)-3-(3-hydroxyphenyl)prop-2-en-1-one
SMILESCOc1c(C(=O)/C=C/c2cccc(O)c2)c(O)c(OC)c2occc12
InChIInChI=1S/C19H16O6/c1-23-17-13-8-9-25-18(13)19(24-2)16(22)15(17)14(21)7-6-11-4-3-5-12(20)10-11/h3-10,20,22H,1-2H3/b7-6+
InChIKeyYKRPDAUNXLJYJK-VOTSOKGWSA-N
XLogP3.76
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.33
LogP ≤ 53.76
H-Bond Donors ≤ 52
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-hydroxyphenyl)prop-2-en-1-one?
The IUPAC name of (E)-1-(6-hydroxy-4,7-dimethoxy-1-benzofuran-5-yl)-3-(3-hydroxyphenyl)prop-2-en-1-one (CID 10427344) is (E)-1-(6-hydroxy-4,7-dimethoxy-1-benzofuran-5-yl)-3-(3-hydroxyphenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-1-(6-hydroxy-4,7-dimethoxy-1-benzofuran-5-yl)-3-(3-hydroxyphenyl)prop-2-en-1-one?
The canonical SMILES for (E)-1-(6-hydroxy-4,7-dimethoxy-1-benzofuran-5-yl)-3-(3-hydroxyphenyl)prop-2-en-1-one is COc1c(C(=O)/C=C/c2cccc(O)c2)c(O)c(OC)c2occc12.
What is the InChIKey of (E)-1-(6-hydroxy-4,7-dimethoxy-1-benzofuran-5-yl)-3-(3-hydroxyphenyl)prop-2-en-1-one?
The InChIKey is YKRPDAUNXLJYJK-VOTSOKGWSA-N. The full InChI is InChI=1S/C19H16O6/c1-23-17-13-8-9-25-18(13)19(24-2)16(22)15(17)14(21)7-6-11-4-3-5-12(20)10-11/h3-10,20,22H,1-2H3/b7-6+.
What are the key properties of (E)-1-(6-hydroxy-4,7-dimethoxy-1-benzofuran-5-yl)-3-(3-hydroxyphenyl)prop-2-en-1-one?
(E)-1-(6-hydroxy-4,7-dimethoxy-1-benzofuran-5-yl)-3-(3-hydroxyphenyl)prop-2-en-1-one has a molecular weight of 340.33 g/mol, XLogP of 3.76, 5 rotatable bonds, 2 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-hydroxyphenyl)prop-2-en-1-one is sourced from PubChem (CID 10427344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).