(2Z)-2-[(3,5-dimethoxyphenyl)methylidene]-4,6-dihydroxy-1-benzofuran-3-one

C17H14O6 — CID 139359988

IUPAC(2Z)-2-[(3,5-dimethoxyphenyl)methylidene]-4,6-dihydroxy-1-benzofuran-3-one
SMILESCOc1cc(/C=C2\Oc3cc(O)cc(O)c3C2=O)cc(OC)c1
InChIInChI=1S/C17H14O6/c1-21-11-3-9(4-12(8-11)22-2)5-15-17(20)16-13(19)6-10(18)7-14(16)23-15/h3-8,18-19H,1-2H3/b15-5-
InChIKeyFDZWFTRVULISRE-WCSRMQSCSA-N
MW314.29 g/mol
LogP2.73
Rot. Bonds3

About (2Z)-2-[(3,5-dimethoxyphenyl)methylidene]-4,6-dihydroxy-1-benzofuran-3-one

(2Z)-2-[(3,5-dimethoxyphenyl)methylidene]-4,6-dihydroxy-1-benzofuran-3-one (PubChem CID 139359988) has the molecular formula C17H14O6 and a molecular weight of 314.29 g/mol. Its IUPAC name is (2Z)-2-[(3,5-dimethoxyphenyl)methylidene]-4,6-dihydroxy-1-benzofuran-3-one.

Molecular Properties

Compound Name(2Z)-2-[(3,5-dimethoxyphenyl)methylidene]-4,6-dihydroxy-1-benzofuran-3-one
PubChem CID139359988
Molecular FormulaC17H14O6
Molecular Weight314.29 g/mol
Exact Mass314.08
IUPAC Name(2Z)-2-[(3,5-dimethoxyphenyl)methylidene]-4,6-dihydroxy-1-benzofuran-3-one
SMILESCOc1cc(/C=C2\Oc3cc(O)cc(O)c3C2=O)cc(OC)c1
InChIInChI=1S/C17H14O6/c1-21-11-3-9(4-12(8-11)22-2)5-15-17(20)16-13(19)6-10(18)7-14(16)23-15/h3-8,18-19H,1-2H3/b15-5-
InChIKeyFDZWFTRVULISRE-WCSRMQSCSA-N
XLogP2.73
TPSA85.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.29
LogP ≤ 52.73
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 (2Z)-2-[(3,5-dimethoxyphenyl)methylidene]-4,6-dihydroxy-1-benzofuran-3-one?
The IUPAC name of (2Z)-2-[(3,5-dimethoxyphenyl)methylidene]-4,6-dihydroxy-1-benzofuran-3-one (CID 139359988) is (2Z)-2-[(3,5-dimethoxyphenyl)methylidene]-4,6-dihydroxy-1-benzofuran-3-one.
What is the SMILES notation for (2Z)-2-[(3,5-dimethoxyphenyl)methylidene]-4,6-dihydroxy-1-benzofuran-3-one?
The canonical SMILES for (2Z)-2-[(3,5-dimethoxyphenyl)methylidene]-4,6-dihydroxy-1-benzofuran-3-one is COc1cc(/C=C2\Oc3cc(O)cc(O)c3C2=O)cc(OC)c1.
What is the InChIKey of (2Z)-2-[(3,5-dimethoxyphenyl)methylidene]-4,6-dihydroxy-1-benzofuran-3-one?
The InChIKey is FDZWFTRVULISRE-WCSRMQSCSA-N. The full InChI is InChI=1S/C17H14O6/c1-21-11-3-9(4-12(8-11)22-2)5-15-17(20)16-13(19)6-10(18)7-14(16)23-15/h3-8,18-19H,1-2H3/b15-5-.
What are the key properties of (2Z)-2-[(3,5-dimethoxyphenyl)methylidene]-4,6-dihydroxy-1-benzofuran-3-one?
(2Z)-2-[(3,5-dimethoxyphenyl)methylidene]-4,6-dihydroxy-1-benzofuran-3-one has a molecular weight of 314.29 g/mol, XLogP of 2.73, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(3,5-dimethoxyphenyl)methylidene]-4,6-dihydroxy-1-benzofuran-3-one is sourced from PubChem (CID 139359988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).