2-hydroxy-5-[(3-oxobenzo[g][1]benzofuran-2-ylidene)methyl]benzoic acid

C20H12O5 — CID 171141184

IUPAC2-hydroxy-5-[(3-oxobenzo[g][1]benzofuran-2-ylidene)methyl]benzoic acid
SMILESO=C(O)c1cc(C=C2Oc3c(ccc4ccccc34)C2=O)ccc1O
InChIInChI=1S/C20H12O5/c21-16-8-5-11(9-15(16)20(23)24)10-17-18(22)14-7-6-12-3-1-2-4-13(12)19(14)25-17/h1-10,21H,(H,23,24)
InChIKeyOHUSDBONLYALFG-UHFFFAOYSA-N
MW332.31 g/mol
LogP3.86
Rot. Bonds2

About 2-hydroxy-5-[(3-oxobenzo[g][1]benzofuran-2-ylidene)methyl]benzoic acid

2-hydroxy-5-[(3-oxobenzo[g][1]benzofuran-2-ylidene)methyl]benzoic acid (PubChem CID 171141184) has the molecular formula C20H12O5 and a molecular weight of 332.31 g/mol. Its IUPAC name is 2-hydroxy-5-[(3-oxobenzo[g][1]benzofuran-2-ylidene)methyl]benzoic acid.

Molecular Properties

Compound Name2-hydroxy-5-[(3-oxobenzo[g][1]benzofuran-2-ylidene)methyl]benzoic acid
PubChem CID171141184
Molecular FormulaC20H12O5
Molecular Weight332.31 g/mol
Exact Mass332.07
IUPAC Name2-hydroxy-5-[(3-oxobenzo[g][1]benzofuran-2-ylidene)methyl]benzoic acid
SMILESO=C(O)c1cc(C=C2Oc3c(ccc4ccccc34)C2=O)ccc1O
InChIInChI=1S/C20H12O5/c21-16-8-5-11(9-15(16)20(23)24)10-17-18(22)14-7-6-12-3-1-2-4-13(12)19(14)25-17/h1-10,21H,(H,23,24)
InChIKeyOHUSDBONLYALFG-UHFFFAOYSA-N
XLogP3.86
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.31
LogP ≤ 53.86
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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Related Compounds

2-hydroxy-5-[(E)-(3-oxo-1-benzofuran-2-ylidene)methyl]benzoic acid
CID 6447057
5-[2-[4-[2-(3-carboxy-4-hydroxyphenyl)ethenyl]naphthalen-1-yl]ethenyl]-2-hydroxybenzoic acid
CID 54009413
(2Z)-6,7-dihydroxy-2-[(2-naphthalen-2-yl-1H-indol-3-yl)methylidene]-1-benzofuran-3-one
CID 69004476
2-hydroxy-5-[(E)-2-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)ethenyl]benzoic acid
CID 88999310
(2Z)-3-oxo-2-[(4-phenylphenyl)methylidene]-1-benzofuran-7-carboxamide
CID 155523486
2-fluoro-5-[(E)-(3-oxo-2-benzofuran-1-ylidene)methyl]benzoic acid
CID 163197494
2-fluoro-5-[(3-oxo-2-benzofuran-1-ylidene)methyl]benzoic acid
CID 78121297
5-[2-[2-[2-(3-carboxy-4-hydroxyphenyl)ethenyl]phenyl]ethenyl]-2-hydroxybenzoic acid
CID 54231084
2-benzylidene-7-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-6-hydroxy-1-benzofuran-3-one
CID 7198118
5-[(E)-[(3E)-3-[[3-(dihydroxymethyl)-4-hydroxyphenyl]methylidene]-2-oxocyclopentylidene]methyl]-2-hydroxybenzoic acid
CID 170184439
(2Z)-2-benzylidene-7-[[bis(2-methoxyethyl)amino]methyl]-6-hydroxy-1-benzofuran-3-one
CID 2039033
(2Z)-2-[(2,3-dihydroxyphenyl)methylidene]-6,7-dihydroxy-1-benzofuran-3-one
CID 177389939

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-[(3-oxobenzo[g][1]benzofuran-2-ylidene)methyl]benzoic acid?
The IUPAC name of 2-hydroxy-5-[(3-oxobenzo[g][1]benzofuran-2-ylidene)methyl]benzoic acid (CID 171141184) is 2-hydroxy-5-[(3-oxobenzo[g][1]benzofuran-2-ylidene)methyl]benzoic acid.
What is the SMILES notation for 2-hydroxy-5-[(3-oxobenzo[g][1]benzofuran-2-ylidene)methyl]benzoic acid?
The canonical SMILES for 2-hydroxy-5-[(3-oxobenzo[g][1]benzofuran-2-ylidene)methyl]benzoic acid is O=C(O)c1cc(C=C2Oc3c(ccc4ccccc34)C2=O)ccc1O.
What is the InChIKey of 2-hydroxy-5-[(3-oxobenzo[g][1]benzofuran-2-ylidene)methyl]benzoic acid?
The InChIKey is OHUSDBONLYALFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12O5/c21-16-8-5-11(9-15(16)20(23)24)10-17-18(22)14-7-6-12-3-1-2-4-13(12)19(14)25-17/h1-10,21H,(H,23,24).
What are the key properties of 2-hydroxy-5-[(3-oxobenzo[g][1]benzofuran-2-ylidene)methyl]benzoic acid?
2-hydroxy-5-[(3-oxobenzo[g][1]benzofuran-2-ylidene)methyl]benzoic acid has a molecular weight of 332.31 g/mol, XLogP of 3.86, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-[(3-oxobenzo[g][1]benzofuran-2-ylidene)methyl]benzoic acid is sourced from PubChem (CID 171141184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).