(2Z)-2-[(4-hydroxyphenyl)methylidene]-4,6-dimethoxy-1-benzofuran-3-one

C17H14O5 — CID 11949446

IUPAC(2Z)-2-[(4-hydroxyphenyl)methylidene]-4,6-dimethoxy-1-benzofuran-3-one
SMILESCOc1cc(OC)c2c(c1)O/C(=C\c1ccc(O)cc1)C2=O
InChIInChI=1S/C17H14O5/c1-20-12-8-13(21-2)16-14(9-12)22-15(17(16)19)7-10-3-5-11(18)6-4-10/h3-9,18H,1-2H3/b15-7-
InChIKeyDYITXOTTZQOBMZ-CHHVJCJISA-N
MW298.29 g/mol
LogP3.03
Rot. Bonds3

About (2Z)-2-[(4-hydroxyphenyl)methylidene]-4,6-dimethoxy-1-benzofuran-3-one

(2Z)-2-[(4-hydroxyphenyl)methylidene]-4,6-dimethoxy-1-benzofuran-3-one (PubChem CID 11949446) has the molecular formula C17H14O5 and a molecular weight of 298.29 g/mol. Its IUPAC name is (2Z)-2-[(4-hydroxyphenyl)methylidene]-4,6-dimethoxy-1-benzofuran-3-one.

Molecular Properties

Compound Name(2Z)-2-[(4-hydroxyphenyl)methylidene]-4,6-dimethoxy-1-benzofuran-3-one
PubChem CID11949446
Molecular FormulaC17H14O5
Molecular Weight298.29 g/mol
Exact Mass298.08
IUPAC Name(2Z)-2-[(4-hydroxyphenyl)methylidene]-4,6-dimethoxy-1-benzofuran-3-one
SMILESCOc1cc(OC)c2c(c1)O/C(=C\c1ccc(O)cc1)C2=O
InChIInChI=1S/C17H14O5/c1-20-12-8-13(21-2)16-14(9-12)22-15(17(16)19)7-10-3-5-11(18)6-4-10/h3-9,18H,1-2H3/b15-7-
InChIKeyDYITXOTTZQOBMZ-CHHVJCJISA-N
XLogP3.03
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.29
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 (2Z)-2-[(4-hydroxyphenyl)methylidene]-4,6-dimethoxy-1-benzofuran-3-one?
The IUPAC name of (2Z)-2-[(4-hydroxyphenyl)methylidene]-4,6-dimethoxy-1-benzofuran-3-one (CID 11949446) is (2Z)-2-[(4-hydroxyphenyl)methylidene]-4,6-dimethoxy-1-benzofuran-3-one.
What is the SMILES notation for (2Z)-2-[(4-hydroxyphenyl)methylidene]-4,6-dimethoxy-1-benzofuran-3-one?
The canonical SMILES for (2Z)-2-[(4-hydroxyphenyl)methylidene]-4,6-dimethoxy-1-benzofuran-3-one is COc1cc(OC)c2c(c1)O/C(=C\c1ccc(O)cc1)C2=O.
What is the InChIKey of (2Z)-2-[(4-hydroxyphenyl)methylidene]-4,6-dimethoxy-1-benzofuran-3-one?
The InChIKey is DYITXOTTZQOBMZ-CHHVJCJISA-N. The full InChI is InChI=1S/C17H14O5/c1-20-12-8-13(21-2)16-14(9-12)22-15(17(16)19)7-10-3-5-11(18)6-4-10/h3-9,18H,1-2H3/b15-7-.
What are the key properties of (2Z)-2-[(4-hydroxyphenyl)methylidene]-4,6-dimethoxy-1-benzofuran-3-one?
(2Z)-2-[(4-hydroxyphenyl)methylidene]-4,6-dimethoxy-1-benzofuran-3-one has a molecular weight of 298.29 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(4-hydroxyphenyl)methylidene]-4,6-dimethoxy-1-benzofuran-3-one is sourced from PubChem (CID 11949446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).