2-hydroxynaphtho[3,2-b][1]benzofuran-6,11-dione

C16H8O4 — CID 58171393

IUPAC2-hydroxynaphtho[3,2-b][1]benzofuran-6,11-dione
SMILESO=C1c2ccccc2C(=O)c2c1oc1ccc(O)cc21
InChIInChI=1S/C16H8O4/c17-8-5-6-12-11(7-8)13-14(18)9-3-1-2-4-10(9)15(19)16(13)20-12/h1-7,17H
InChIKeyKFBDSSJCXOBXMP-UHFFFAOYSA-N
MW264.24 g/mol
LogP2.91
Rot. Bonds

About 2-hydroxynaphtho[3,2-b][1]benzofuran-6,11-dione

2-hydroxynaphtho[3,2-b][1]benzofuran-6,11-dione (PubChem CID 58171393) has the molecular formula C16H8O4 and a molecular weight of 264.24 g/mol. Its IUPAC name is 2-hydroxynaphtho[3,2-b][1]benzofuran-6,11-dione.

Molecular Properties

Compound Name2-hydroxynaphtho[3,2-b][1]benzofuran-6,11-dione
PubChem CID58171393
Molecular FormulaC16H8O4
Molecular Weight264.24 g/mol
Exact Mass264.04
IUPAC Name2-hydroxynaphtho[3,2-b][1]benzofuran-6,11-dione
SMILESO=C1c2ccccc2C(=O)c2c1oc1ccc(O)cc21
InChIInChI=1S/C16H8O4/c17-8-5-6-12-11(7-8)13-14(18)9-3-1-2-4-10(9)15(19)16(13)20-12/h1-7,17H
InChIKeyKFBDSSJCXOBXMP-UHFFFAOYSA-N
XLogP2.91
TPSA67.51 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 ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,3-dihydroxynaphtho[3,2-b][1]benzofuran-6,11-dione
CID 10265646
3-(2-chlorophenyl)-6-hydroxy-2-sulfanylchromen-4-one
CID 11580343
3-ethyl-2-(2-ethylphenyl)-6-hydroxychromen-4-one
CID 175502832
18-hydroxy-12-oxapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),4,6,8,14(19),15,17,20-nonaene-3,10-dione
CID 70133265
2-(2-chlorophenyl)-6-hydroxychromen-4-one
CID 14982999
2-hydroxyanthracene-9,10-dione
CID 11796
6,7-dihydroxy-3-oxapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2(10),4,6,8,12,14,16(20),17-nonaen-11-one
CID 16664788
3-hydroxy-2-(9-oxofluoren-4-yl)chromen-4-one
CID 22239057
anthracene-9,10-dione;benzene-1,4-diol
CID 70474233
10-chloro-8-hydroxyindeno[1,2-b]quinolin-11-one
CID 19081815
4-(2-bromophenyl)sulfanyl-6-hydroxychromen-2-one
CID 102179849
2-(2,3-dihydroxyphenyl)-3,7-dihydroxychromen-4-one
CID 153409103

Frequently Asked Questions

What is the IUPAC name of 2-hydroxynaphtho[3,2-b][1]benzofuran-6,11-dione?
The IUPAC name of 2-hydroxynaphtho[3,2-b][1]benzofuran-6,11-dione (CID 58171393) is 2-hydroxynaphtho[3,2-b][1]benzofuran-6,11-dione.
What is the SMILES notation for 2-hydroxynaphtho[3,2-b][1]benzofuran-6,11-dione?
The canonical SMILES for 2-hydroxynaphtho[3,2-b][1]benzofuran-6,11-dione is O=C1c2ccccc2C(=O)c2c1oc1ccc(O)cc21.
What is the InChIKey of 2-hydroxynaphtho[3,2-b][1]benzofuran-6,11-dione?
The InChIKey is KFBDSSJCXOBXMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8O4/c17-8-5-6-12-11(7-8)13-14(18)9-3-1-2-4-10(9)15(19)16(13)20-12/h1-7,17H.
What are the key properties of 2-hydroxynaphtho[3,2-b][1]benzofuran-6,11-dione?
2-hydroxynaphtho[3,2-b][1]benzofuran-6,11-dione has a molecular weight of 264.24 g/mol, XLogP of 2.91, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxynaphtho[3,2-b][1]benzofuran-6,11-dione is sourced from PubChem (CID 58171393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).