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

C21H14O4 — CID 90676895

IUPAC(2Z)-4,6-dihydroxy-2-[(4-phenylphenyl)methylidene]-1-benzofuran-3-one
SMILESO=C1/C(=C/c2ccc(-c3ccccc3)cc2)Oc2cc(O)cc(O)c21
InChIInChI=1S/C21H14O4/c22-16-11-17(23)20-18(12-16)25-19(21(20)24)10-13-6-8-15(9-7-13)14-4-2-1-3-5-14/h1-12,22-23H/b19-10-
InChIKeyRSJKPGNQABXGLD-GRSHGNNSSA-N
MW330.34 g/mol
LogP4.38
Rot. Bonds2

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

(2Z)-4,6-dihydroxy-2-[(4-phenylphenyl)methylidene]-1-benzofuran-3-one (PubChem CID 90676895) has the molecular formula C21H14O4 and a molecular weight of 330.34 g/mol. Its IUPAC name is (2Z)-4,6-dihydroxy-2-[(4-phenylphenyl)methylidene]-1-benzofuran-3-one.

Molecular Properties

Compound Name(2Z)-4,6-dihydroxy-2-[(4-phenylphenyl)methylidene]-1-benzofuran-3-one
PubChem CID90676895
Molecular FormulaC21H14O4
Molecular Weight330.34 g/mol
Exact Mass330.09
IUPAC Name(2Z)-4,6-dihydroxy-2-[(4-phenylphenyl)methylidene]-1-benzofuran-3-one
SMILESO=C1/C(=C/c2ccc(-c3ccccc3)cc2)Oc2cc(O)cc(O)c21
InChIInChI=1S/C21H14O4/c22-16-11-17(23)20-18(12-16)25-19(21(20)24)10-13-6-8-15(9-7-13)14-4-2-1-3-5-14/h1-12,22-23H/b19-10-
InChIKeyRSJKPGNQABXGLD-GRSHGNNSSA-N
XLogP4.38
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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)-4,6-dihydroxy-2-[(4-phenylphenyl)methylidene]-1-benzofuran-3-one?
The IUPAC name of (2Z)-4,6-dihydroxy-2-[(4-phenylphenyl)methylidene]-1-benzofuran-3-one (CID 90676895) is (2Z)-4,6-dihydroxy-2-[(4-phenylphenyl)methylidene]-1-benzofuran-3-one.
What is the SMILES notation for (2Z)-4,6-dihydroxy-2-[(4-phenylphenyl)methylidene]-1-benzofuran-3-one?
The canonical SMILES for (2Z)-4,6-dihydroxy-2-[(4-phenylphenyl)methylidene]-1-benzofuran-3-one is O=C1/C(=C/c2ccc(-c3ccccc3)cc2)Oc2cc(O)cc(O)c21.
What is the InChIKey of (2Z)-4,6-dihydroxy-2-[(4-phenylphenyl)methylidene]-1-benzofuran-3-one?
The InChIKey is RSJKPGNQABXGLD-GRSHGNNSSA-N. The full InChI is InChI=1S/C21H14O4/c22-16-11-17(23)20-18(12-16)25-19(21(20)24)10-13-6-8-15(9-7-13)14-4-2-1-3-5-14/h1-12,22-23H/b19-10-.
What are the key properties of (2Z)-4,6-dihydroxy-2-[(4-phenylphenyl)methylidene]-1-benzofuran-3-one?
(2Z)-4,6-dihydroxy-2-[(4-phenylphenyl)methylidene]-1-benzofuran-3-one has a molecular weight of 330.34 g/mol, XLogP of 4.38, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-4,6-dihydroxy-2-[(4-phenylphenyl)methylidene]-1-benzofuran-3-one is sourced from PubChem (CID 90676895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).