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

C16H8O5 — CID 10265646

IUPAC1,3-dihydroxynaphtho[3,2-b][1]benzofuran-6,11-dione
SMILESO=C1c2ccccc2C(=O)c2c1oc1cc(O)cc(O)c21
InChIInChI=1S/C16H8O5/c17-7-5-10(18)12-11(6-7)21-16-13(12)14(19)8-3-1-2-4-9(8)15(16)20/h1-6,17-18H
InChIKeyBWOJLRXNVPTOIF-UHFFFAOYSA-N
MW280.23 g/mol
LogP2.62
Rot. Bonds

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

1,3-dihydroxynaphtho[3,2-b][1]benzofuran-6,11-dione (PubChem CID 10265646) has the molecular formula C16H8O5 and a molecular weight of 280.23 g/mol. Its IUPAC name is 1,3-dihydroxynaphtho[3,2-b][1]benzofuran-6,11-dione.

Molecular Properties

Compound Name1,3-dihydroxynaphtho[3,2-b][1]benzofuran-6,11-dione
PubChem CID10265646
Molecular FormulaC16H8O5
Molecular Weight280.23 g/mol
Exact Mass280.04
IUPAC Name1,3-dihydroxynaphtho[3,2-b][1]benzofuran-6,11-dione
SMILESO=C1c2ccccc2C(=O)c2c1oc1cc(O)cc(O)c21
InChIInChI=1S/C16H8O5/c17-7-5-10(18)12-11(6-7)21-16-13(12)14(19)8-3-1-2-4-9(8)15(16)20/h1-6,17-18H
InChIKeyBWOJLRXNVPTOIF-UHFFFAOYSA-N
XLogP2.62
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.23
LogP ≤ 52.62
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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Related Compounds

2-hydroxynaphtho[3,2-b][1]benzofuran-6,11-dione
CID 58171393
3,5,7-trihydroxy-2-phenylchromen-4-one
CID 162642124
1,3-dihydroxyxanthen-9-one
CID 5488193
2,4-dihydroxy-5-(3,5,7-trihydroxy-4-oxochromen-2-yl)benzenesulfonic acid
CID 12978681
cyclohexane-1,2,3,4,5,6-hexol;2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one
CID 70292403
bis(5,7-dihydroxy-2-phenylchromen-4-one);sulfuric acid
CID 174670813
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
3,5,7-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one;zinc
CID 175939811
5,7-dihydroxy-2-(4-hydroxyphenyl)-3-methylchromen-4-one
CID 15661821
1,3,5-trihydroxyanthracene-9,10-dione
CID 11265324
3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one
CID 5281672
actinium;2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one
CID 20670067

Frequently Asked Questions

What is the IUPAC name of 1,3-dihydroxynaphtho[3,2-b][1]benzofuran-6,11-dione?
The IUPAC name of 1,3-dihydroxynaphtho[3,2-b][1]benzofuran-6,11-dione (CID 10265646) is 1,3-dihydroxynaphtho[3,2-b][1]benzofuran-6,11-dione.
What is the SMILES notation for 1,3-dihydroxynaphtho[3,2-b][1]benzofuran-6,11-dione?
The canonical SMILES for 1,3-dihydroxynaphtho[3,2-b][1]benzofuran-6,11-dione is O=C1c2ccccc2C(=O)c2c1oc1cc(O)cc(O)c21.
What is the InChIKey of 1,3-dihydroxynaphtho[3,2-b][1]benzofuran-6,11-dione?
The InChIKey is BWOJLRXNVPTOIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8O5/c17-7-5-10(18)12-11(6-7)21-16-13(12)14(19)8-3-1-2-4-9(8)15(16)20/h1-6,17-18H.
What are the key properties of 1,3-dihydroxynaphtho[3,2-b][1]benzofuran-6,11-dione?
1,3-dihydroxynaphtho[3,2-b][1]benzofuran-6,11-dione has a molecular weight of 280.23 g/mol, XLogP of 2.62, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dihydroxynaphtho[3,2-b][1]benzofuran-6,11-dione is sourced from PubChem (CID 10265646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).