5-hydroxy-2-[hydroxy(phenyl)methyl]benzo[f][1]benzofuran-4,9-dione

C19H12O5 — CID 154674970

IUPAC5-hydroxy-2-[hydroxy(phenyl)methyl]benzo[f][1]benzofuran-4,9-dione
SMILESO=C1c2cccc(O)c2C(=O)c2cc(C(O)c3ccccc3)oc21
InChIInChI=1S/C19H12O5/c20-13-8-4-7-11-15(13)17(22)12-9-14(24-19(12)18(11)23)16(21)10-5-2-1-3-6-10/h1-9,16,20-21H
InChIKeyOJASXPYQWMQOPN-UHFFFAOYSA-N
MW320.30 g/mol
LogP2.84
Rot. Bonds2

About 5-hydroxy-2-[hydroxy(phenyl)methyl]benzo[f][1]benzofuran-4,9-dione

5-hydroxy-2-[hydroxy(phenyl)methyl]benzo[f][1]benzofuran-4,9-dione (PubChem CID 154674970) has the molecular formula C19H12O5 and a molecular weight of 320.30 g/mol. Its IUPAC name is 5-hydroxy-2-[hydroxy(phenyl)methyl]benzo[f][1]benzofuran-4,9-dione.

Molecular Properties

Compound Name5-hydroxy-2-[hydroxy(phenyl)methyl]benzo[f][1]benzofuran-4,9-dione
PubChem CID154674970
Molecular FormulaC19H12O5
Molecular Weight320.30 g/mol
Exact Mass320.07
IUPAC Name5-hydroxy-2-[hydroxy(phenyl)methyl]benzo[f][1]benzofuran-4,9-dione
SMILESO=C1c2cccc(O)c2C(=O)c2cc(C(O)c3ccccc3)oc21
InChIInChI=1S/C19H12O5/c20-13-8-4-7-11-15(13)17(22)12-9-14(24-19(12)18(11)23)16(21)10-5-2-1-3-6-10/h1-9,16,20-21H
InChIKeyOJASXPYQWMQOPN-UHFFFAOYSA-N
XLogP2.84
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.30
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-[hydroxy(phenyl)methyl]benzo[f][1]benzofuran-4,9-dione?
The IUPAC name of 5-hydroxy-2-[hydroxy(phenyl)methyl]benzo[f][1]benzofuran-4,9-dione (CID 154674970) is 5-hydroxy-2-[hydroxy(phenyl)methyl]benzo[f][1]benzofuran-4,9-dione.
What is the SMILES notation for 5-hydroxy-2-[hydroxy(phenyl)methyl]benzo[f][1]benzofuran-4,9-dione?
The canonical SMILES for 5-hydroxy-2-[hydroxy(phenyl)methyl]benzo[f][1]benzofuran-4,9-dione is O=C1c2cccc(O)c2C(=O)c2cc(C(O)c3ccccc3)oc21.
What is the InChIKey of 5-hydroxy-2-[hydroxy(phenyl)methyl]benzo[f][1]benzofuran-4,9-dione?
The InChIKey is OJASXPYQWMQOPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12O5/c20-13-8-4-7-11-15(13)17(22)12-9-14(24-19(12)18(11)23)16(21)10-5-2-1-3-6-10/h1-9,16,20-21H.
What are the key properties of 5-hydroxy-2-[hydroxy(phenyl)methyl]benzo[f][1]benzofuran-4,9-dione?
5-hydroxy-2-[hydroxy(phenyl)methyl]benzo[f][1]benzofuran-4,9-dione has a molecular weight of 320.30 g/mol, XLogP of 2.84, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-[hydroxy(phenyl)methyl]benzo[f][1]benzofuran-4,9-dione is sourced from PubChem (CID 154674970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).