5-[(1,3-dihydroxy-1,3-dihydro-2-benzofuran-5-yl)oxy]-2-benzofuran-1,3-dione

C16H10O7 — CID 145140801

IUPAC5-[(1,3-dihydroxy-1,3-dihydro-2-benzofuran-5-yl)oxy]-2-benzofuran-1,3-dione
SMILESO=C1OC(=O)c2cc(Oc3ccc4c(c3)C(O)OC4O)ccc21
InChIInChI=1S/C16H10O7/c17-13-9-3-1-7(5-11(9)15(19)22-13)21-8-2-4-10-12(6-8)16(20)23-14(10)18/h1-6,13,15,17,19H
InChIKeyMPFRCUXNTZGZQN-UHFFFAOYSA-N
MW314.25 g/mol
LogP1.80
Rot. Bonds2

About 5-[(1,3-dihydroxy-1,3-dihydro-2-benzofuran-5-yl)oxy]-2-benzofuran-1,3-dione

5-[(1,3-dihydroxy-1,3-dihydro-2-benzofuran-5-yl)oxy]-2-benzofuran-1,3-dione (PubChem CID 145140801) has the molecular formula C16H10O7 and a molecular weight of 314.25 g/mol. Its IUPAC name is 5-[(1,3-dihydroxy-1,3-dihydro-2-benzofuran-5-yl)oxy]-2-benzofuran-1,3-dione.

Molecular Properties

Compound Name5-[(1,3-dihydroxy-1,3-dihydro-2-benzofuran-5-yl)oxy]-2-benzofuran-1,3-dione
PubChem CID145140801
Molecular FormulaC16H10O7
Molecular Weight314.25 g/mol
Exact Mass314.04
IUPAC Name5-[(1,3-dihydroxy-1,3-dihydro-2-benzofuran-5-yl)oxy]-2-benzofuran-1,3-dione
SMILESO=C1OC(=O)c2cc(Oc3ccc4c(c3)C(O)OC4O)ccc21
InChIInChI=1S/C16H10O7/c17-13-9-3-1-7(5-11(9)15(19)22-13)21-8-2-4-10-12(6-8)16(20)23-14(10)18/h1-6,13,15,17,19H
InChIKeyMPFRCUXNTZGZQN-UHFFFAOYSA-N
XLogP1.80
TPSA102.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.25
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

5-[4-[4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]benzoyl]phenoxy]-2-benzofuran-1,3-dione
CID 10874832
4-[3-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenoxy]benzoic acid
CID 142735073
5-[(1,3-dioxo-2-benzofuran-5-yl)oxy]benzene-1,3-dicarboxylic acid
CID 101232530
5-(2,6-dimethylphenoxy)-2-benzofuran-1,3-dione
CID 14617994
(1,3-dihydroxy-1,3-dihydro-2-benzofuran-5-yl) formate
CID 174415590
5-[(3-oxo-1H-2-benzofuran-5-yl)oxy]-2-benzofuran-1,3-dione
CID 137409909
6,13-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;5-[4-[2-[4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenyl]propan-2-yl]phenoxy]-2-benzofuran-1,3-dione
CID 155092283
5-(4-hydroxy-1-oxoisochromen-6-yl)oxy-2-benzofuran-1,3-dione
CID 123238658
(1,3-dioxo-2-benzofuran-5-yl) formate
CID 58151859
5-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]-2-benzofuran-1,3-dione
CID 20688254
5-[4-[1-[4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenyl]-2,2,2-trifluoro-1-phenylethyl]phenoxy]-2-benzofuran-1,3-dione
CID 102003983
[3-(aminomethyl)phenyl]methanamine;5-[4-[2-[4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenyl]propan-2-yl]phenoxy]-2-benzofuran-1,3-dione
CID 157302774

Frequently Asked Questions

What is the IUPAC name of 5-[(1,3-dihydroxy-1,3-dihydro-2-benzofuran-5-yl)oxy]-2-benzofuran-1,3-dione?
The IUPAC name of 5-[(1,3-dihydroxy-1,3-dihydro-2-benzofuran-5-yl)oxy]-2-benzofuran-1,3-dione (CID 145140801) is 5-[(1,3-dihydroxy-1,3-dihydro-2-benzofuran-5-yl)oxy]-2-benzofuran-1,3-dione.
What is the SMILES notation for 5-[(1,3-dihydroxy-1,3-dihydro-2-benzofuran-5-yl)oxy]-2-benzofuran-1,3-dione?
The canonical SMILES for 5-[(1,3-dihydroxy-1,3-dihydro-2-benzofuran-5-yl)oxy]-2-benzofuran-1,3-dione is O=C1OC(=O)c2cc(Oc3ccc4c(c3)C(O)OC4O)ccc21.
What is the InChIKey of 5-[(1,3-dihydroxy-1,3-dihydro-2-benzofuran-5-yl)oxy]-2-benzofuran-1,3-dione?
The InChIKey is MPFRCUXNTZGZQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10O7/c17-13-9-3-1-7(5-11(9)15(19)22-13)21-8-2-4-10-12(6-8)16(20)23-14(10)18/h1-6,13,15,17,19H.
What are the key properties of 5-[(1,3-dihydroxy-1,3-dihydro-2-benzofuran-5-yl)oxy]-2-benzofuran-1,3-dione?
5-[(1,3-dihydroxy-1,3-dihydro-2-benzofuran-5-yl)oxy]-2-benzofuran-1,3-dione has a molecular weight of 314.25 g/mol, XLogP of 1.80, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1,3-dihydroxy-1,3-dihydro-2-benzofuran-5-yl)oxy]-2-benzofuran-1,3-dione is sourced from PubChem (CID 145140801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).