5-hydroxynaphtho[2,1-e][2]benzofuran-1,3-dione

C16H8O4 — CID 11402825

IUPAC5-hydroxynaphtho[2,1-e][2]benzofuran-1,3-dione
SMILESO=C1OC(=O)c2c1ccc1c2cc(O)c2ccccc21
InChIInChI=1S/C16H8O4/c17-13-7-12-9(8-3-1-2-4-10(8)13)5-6-11-14(12)16(19)20-15(11)18/h1-7,17H
InChIKeyPALVYTFPSXLIKD-UHFFFAOYSA-N
MW264.24 g/mol
LogP3.01
Rot. Bonds

About 5-hydroxynaphtho[2,1-e][2]benzofuran-1,3-dione

5-hydroxynaphtho[2,1-e][2]benzofuran-1,3-dione (PubChem CID 11402825) has the molecular formula C16H8O4 and a molecular weight of 264.24 g/mol. Its IUPAC name is 5-hydroxynaphtho[2,1-e][2]benzofuran-1,3-dione.

Molecular Properties

Compound Name5-hydroxynaphtho[2,1-e][2]benzofuran-1,3-dione
PubChem CID11402825
Molecular FormulaC16H8O4
Molecular Weight264.24 g/mol
Exact Mass264.04
IUPAC Name5-hydroxynaphtho[2,1-e][2]benzofuran-1,3-dione
SMILESO=C1OC(=O)c2c1ccc1c2cc(O)c2ccccc21
InChIInChI=1S/C16H8O4/c17-13-7-12-9(8-3-1-2-4-10(8)13)5-6-11-14(12)16(19)20-15(11)18/h1-7,17H
InChIKeyPALVYTFPSXLIKD-UHFFFAOYSA-N
XLogP3.01
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.24
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

phenanthro[9,10-f][2]benzofuran-10,12-dione
CID 15267806
6-bromobenzo[e][2]benzofuran-1,3-dione
CID 87755748
6-methylidene-[2]benzofuro[4,5-g][2]benzofuran-1,3,8-trione
CID 134285624
12-hydroxy-6,15-dioxatetracyclo[9.7.0.04,17.08,13]octadeca-1(18),2,4(17),8(13),9,11-hexaene-5,7,14,16-tetrone
CID 57145576
4,6-dihydroxy-2-benzofuran-1,3-dione
CID 102318969
7,8-bis(ethenyl)benzo[e][2]benzofuran-1,3-dione
CID 144902513
5,6-dichlorobenzo[e][2]benzofuran-1,3-dione
CID 54057526
4-hydroxy-5-methoxy-2-benzofuran-1,3-dione
CID 54295752
9-hydroxy-9H-[2]benzofuro[5,6-e][2]benzofuran-1,3,7-trione
CID 152964608
2-benzofuran-1,3-dione
CID 123741998
2-benzofuran-1,3-dione
CID 163894732
7,12-dioxatetracyclo[12.3.1.02,9.05,10]octadeca-1(18),2(9),3,5(10),14,16-hexaene-6,8,11,13-tetrone
CID 56628669

Frequently Asked Questions

What is the IUPAC name of 5-hydroxynaphtho[2,1-e][2]benzofuran-1,3-dione?
The IUPAC name of 5-hydroxynaphtho[2,1-e][2]benzofuran-1,3-dione (CID 11402825) is 5-hydroxynaphtho[2,1-e][2]benzofuran-1,3-dione.
What is the SMILES notation for 5-hydroxynaphtho[2,1-e][2]benzofuran-1,3-dione?
The canonical SMILES for 5-hydroxynaphtho[2,1-e][2]benzofuran-1,3-dione is O=C1OC(=O)c2c1ccc1c2cc(O)c2ccccc21.
What is the InChIKey of 5-hydroxynaphtho[2,1-e][2]benzofuran-1,3-dione?
The InChIKey is PALVYTFPSXLIKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8O4/c17-13-7-12-9(8-3-1-2-4-10(8)13)5-6-11-14(12)16(19)20-15(11)18/h1-7,17H.
What are the key properties of 5-hydroxynaphtho[2,1-e][2]benzofuran-1,3-dione?
5-hydroxynaphtho[2,1-e][2]benzofuran-1,3-dione has a molecular weight of 264.24 g/mol, XLogP of 3.01, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxynaphtho[2,1-e][2]benzofuran-1,3-dione is sourced from PubChem (CID 11402825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).