(2E)-2-(3,3-diphenylprop-2-enylidene)-6,7-dihydroxy-1-benzofuran-3-one

C23H16O4 — CID 173225613

IUPAC(2E)-2-(3,3-diphenylprop-2-enylidene)-6,7-dihydroxy-1-benzofuran-3-one
SMILESO=C1/C(=C\C=C(c2ccccc2)c2ccccc2)Oc2c1ccc(O)c2O
InChIInChI=1S/C23H16O4/c24-19-13-11-18-21(25)20(27-23(18)22(19)26)14-12-17(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-14,24,26H/b20-14+
InChIKeyGPWRBCVBLRLMKG-XSFVSMFZSA-N
MW356.38 g/mol
LogP4.69
Rot. Bonds3

About (2E)-2-(3,3-diphenylprop-2-enylidene)-6,7-dihydroxy-1-benzofuran-3-one

(2E)-2-(3,3-diphenylprop-2-enylidene)-6,7-dihydroxy-1-benzofuran-3-one (PubChem CID 173225613) has the molecular formula C23H16O4 and a molecular weight of 356.38 g/mol. Its IUPAC name is (2E)-2-(3,3-diphenylprop-2-enylidene)-6,7-dihydroxy-1-benzofuran-3-one.

Molecular Properties

Compound Name(2E)-2-(3,3-diphenylprop-2-enylidene)-6,7-dihydroxy-1-benzofuran-3-one
PubChem CID173225613
Molecular FormulaC23H16O4
Molecular Weight356.38 g/mol
Exact Mass356.10
IUPAC Name(2E)-2-(3,3-diphenylprop-2-enylidene)-6,7-dihydroxy-1-benzofuran-3-one
SMILESO=C1/C(=C\C=C(c2ccccc2)c2ccccc2)Oc2c1ccc(O)c2O
InChIInChI=1S/C23H16O4/c24-19-13-11-18-21(25)20(27-23(18)22(19)26)14-12-17(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-14,24,26H/b20-14+
InChIKeyGPWRBCVBLRLMKG-XSFVSMFZSA-N
XLogP4.69
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2Z)-2-[(2,3-dihydroxyphenyl)methylidene]-6,7-dihydroxy-1-benzofuran-3-one
CID 177389939
6,7-dihydroxy-2-[(2,3,4,5,6-pentamethylphenyl)methylidene]-1-benzofuran-3-one
CID 85059297
(2Z)-6,7-dihydroxy-2-[(2-hydroxy-4-phenylmethoxyphenyl)methylidene]-1-benzofuran-3-one
CID 10156359
6,7-dihydroxy-2-[(2,3,5,6-tetrafluorophenyl)methylidene]-1-benzofuran-3-one
CID 91518772
(2Z)-2-[(2,3-dihydroxyphenyl)methylidene]-7-hydroxy-1-benzofuran-3-one
CID 155566112
2-[5-[(6,7-dihydroxy-3-oxo-1-benzofuran-2-ylidene)methyl]furan-2-yl]propanoic acid
CID 91280525
2-[(5-fluoro-1H-indol-3-yl)methylidene]-6,7-dihydroxy-1-benzofuran-3-one
CID 67027890
2-cinnamylidene-6-hydroxy-7-(morpholin-4-ium-4-ylmethyl)-1-benzofuran-3-one
CID 7005603
(2Z)-6,7-dihydroxy-2-[(2-naphthalen-2-yl-1H-indol-3-yl)methylidene]-1-benzofuran-3-one
CID 69004476
(2E)-6-hydroxy-2-[(E)-3-phenylprop-2-enylidene]-7-(piperidin-1-ylmethyl)-1-benzofuran-3-one
CID 2032046
2-cinnamylidene-6-hydroxy-7-(piperidin-1-ylmethyl)-1-benzofuran-3-one
CID 4885784
7-[(dimethylamino)methyl]-6-hydroxy-2-[3-(2-methoxyphenyl)prop-2-enylidene]-1-benzofuran-3-one
CID 4859812

Frequently Asked Questions

What is the IUPAC name of (2E)-2-(3,3-diphenylprop-2-enylidene)-6,7-dihydroxy-1-benzofuran-3-one?
The IUPAC name of (2E)-2-(3,3-diphenylprop-2-enylidene)-6,7-dihydroxy-1-benzofuran-3-one (CID 173225613) is (2E)-2-(3,3-diphenylprop-2-enylidene)-6,7-dihydroxy-1-benzofuran-3-one.
What is the SMILES notation for (2E)-2-(3,3-diphenylprop-2-enylidene)-6,7-dihydroxy-1-benzofuran-3-one?
The canonical SMILES for (2E)-2-(3,3-diphenylprop-2-enylidene)-6,7-dihydroxy-1-benzofuran-3-one is O=C1/C(=C\C=C(c2ccccc2)c2ccccc2)Oc2c1ccc(O)c2O.
What is the InChIKey of (2E)-2-(3,3-diphenylprop-2-enylidene)-6,7-dihydroxy-1-benzofuran-3-one?
The InChIKey is GPWRBCVBLRLMKG-XSFVSMFZSA-N. The full InChI is InChI=1S/C23H16O4/c24-19-13-11-18-21(25)20(27-23(18)22(19)26)14-12-17(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-14,24,26H/b20-14+.
What are the key properties of (2E)-2-(3,3-diphenylprop-2-enylidene)-6,7-dihydroxy-1-benzofuran-3-one?
(2E)-2-(3,3-diphenylprop-2-enylidene)-6,7-dihydroxy-1-benzofuran-3-one has a molecular weight of 356.38 g/mol, XLogP of 4.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(3,3-diphenylprop-2-enylidene)-6,7-dihydroxy-1-benzofuran-3-one is sourced from PubChem (CID 173225613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).