(2E)-2-[3-hydroxy-4-(4-hydroxyphenyl)-5-oxofuran-2-ylidene]-2-phenylacetic acid

C18H12O6 — CID 102217340

IUPAC(2E)-2-[3-hydroxy-4-(4-hydroxyphenyl)-5-oxofuran-2-ylidene]-2-phenylacetic acid
SMILESO=C1O/C(=C(/C(=O)O)c2ccccc2)C(O)=C1c1ccc(O)cc1
InChIInChI=1S/C18H12O6/c19-12-8-6-11(7-9-12)13-15(20)16(24-18(13)23)14(17(21)22)10-4-2-1-3-5-10/h1-9,19-20H,(H,21,22)/b16-14+
InChIKeyAZLZUPINLCKHIS-JQIJEIRASA-N
MW324.29 g/mol
LogP2.71
Rot. Bonds3

About (2E)-2-[3-hydroxy-4-(4-hydroxyphenyl)-5-oxofuran-2-ylidene]-2-phenylacetic acid

(2E)-2-[3-hydroxy-4-(4-hydroxyphenyl)-5-oxofuran-2-ylidene]-2-phenylacetic acid (PubChem CID 102217340) has the molecular formula C18H12O6 and a molecular weight of 324.29 g/mol. Its IUPAC name is (2E)-2-[3-hydroxy-4-(4-hydroxyphenyl)-5-oxofuran-2-ylidene]-2-phenylacetic acid.

Molecular Properties

Compound Name(2E)-2-[3-hydroxy-4-(4-hydroxyphenyl)-5-oxofuran-2-ylidene]-2-phenylacetic acid
PubChem CID102217340
Molecular FormulaC18H12O6
Molecular Weight324.29 g/mol
Exact Mass324.06
IUPAC Name(2E)-2-[3-hydroxy-4-(4-hydroxyphenyl)-5-oxofuran-2-ylidene]-2-phenylacetic acid
SMILESO=C1O/C(=C(/C(=O)O)c2ccccc2)C(O)=C1c1ccc(O)cc1
InChIInChI=1S/C18H12O6/c19-12-8-6-11(7-9-12)13-15(20)16(24-18(13)23)14(17(21)22)10-4-2-1-3-5-10/h1-9,19-20H,(H,21,22)/b16-14+
InChIKeyAZLZUPINLCKHIS-JQIJEIRASA-N
XLogP2.71
TPSA104.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.29
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methyl (2Z)-2-[3-hydroxy-4-(4-hydroxyphenyl)-5-oxofuran-2-ylidene]-2-(4-hydroxyphenyl)acetate
CID 54675944
methyl 2-(3,4-dihydroxyphenyl)-2-[3-hydroxy-4-(4-hydroxyphenyl)-5-oxofuran-2-ylidene]acetate
CID 162933141
methyl 2-(4-chlorophenyl)-2-[4-(4-chlorophenyl)-3-hydroxy-5-oxofuran-2-ylidene]acetate
CID 54676219
(2E)-2-[4-[(1R,4R,7S,8S)-11-[(5E)-5-[carboxy-(4-hydroxyphenyl)methylidene]-4-hydroxy-2-oxofuran-3-yl]-8-hydroxy-5,9-dioxo-3-tricyclo[5.4.0.04,8]undeca-2,10-dienyl]-3-hydroxy-5-oxofuran-2-ylidene]-2-(4-hydroxyphenyl)acetic acid
CID 163188216
benzene-1,4-diol;benzoic acid
CID 67019242
3-(4-hydroxyphenyl)-7-(4-phenylphenyl)furo[2,3-f][1]benzofuran-2,6-dione
CID 148598545
(4-hydroxyphenyl)-phenylmethanone
CID 139062648
(5E)-3,4-diphenyl-5-[phenyl(phenylselanyl)methylidene]furan-2-one
CID 11145260
(2E)-2-[3-hydroxy-4-(4-methoxyphenyl)-5-oxofuran-2-ylidene]-N-methoxy-N-methylpropanamide
CID 54737471
ethane;4-(4-hydroxyphenyl)benzoic acid
CID 91010322
[3,4-bis(4-hydroxyphenyl)pyrrol-1-yl]-phenylmethanone
CID 155538054
2-[4-(4-hydroxyphenyl)phenyl]-1-phenylethanone
CID 82541267

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[3-hydroxy-4-(4-hydroxyphenyl)-5-oxofuran-2-ylidene]-2-phenylacetic acid?
The IUPAC name of (2E)-2-[3-hydroxy-4-(4-hydroxyphenyl)-5-oxofuran-2-ylidene]-2-phenylacetic acid (CID 102217340) is (2E)-2-[3-hydroxy-4-(4-hydroxyphenyl)-5-oxofuran-2-ylidene]-2-phenylacetic acid.
What is the SMILES notation for (2E)-2-[3-hydroxy-4-(4-hydroxyphenyl)-5-oxofuran-2-ylidene]-2-phenylacetic acid?
The canonical SMILES for (2E)-2-[3-hydroxy-4-(4-hydroxyphenyl)-5-oxofuran-2-ylidene]-2-phenylacetic acid is O=C1O/C(=C(/C(=O)O)c2ccccc2)C(O)=C1c1ccc(O)cc1.
What is the InChIKey of (2E)-2-[3-hydroxy-4-(4-hydroxyphenyl)-5-oxofuran-2-ylidene]-2-phenylacetic acid?
The InChIKey is AZLZUPINLCKHIS-JQIJEIRASA-N. The full InChI is InChI=1S/C18H12O6/c19-12-8-6-11(7-9-12)13-15(20)16(24-18(13)23)14(17(21)22)10-4-2-1-3-5-10/h1-9,19-20H,(H,21,22)/b16-14+.
What are the key properties of (2E)-2-[3-hydroxy-4-(4-hydroxyphenyl)-5-oxofuran-2-ylidene]-2-phenylacetic acid?
(2E)-2-[3-hydroxy-4-(4-hydroxyphenyl)-5-oxofuran-2-ylidene]-2-phenylacetic acid has a molecular weight of 324.29 g/mol, XLogP of 2.71, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[3-hydroxy-4-(4-hydroxyphenyl)-5-oxofuran-2-ylidene]-2-phenylacetic acid is sourced from PubChem (CID 102217340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).