4-[4-[4-[(1,3-dioxo-2-benzofuran-4-yl)oxy]phenyl]phenoxy]-2-benzofuran-1,3-dione

C28H14O8 — CID 71365266

IUPAC4-[4-[4-[(1,3-dioxo-2-benzofuran-4-yl)oxy]phenyl]phenoxy]-2-benzofuran-1,3-dione
SMILESO=C1OC(=O)c2c(Oc3ccc(-c4ccc(Oc5cccc6c5C(=O)OC6=O)cc4)cc3)cccc21
InChIInChI=1S/C28H14O8/c29-25-19-3-1-5-21(23(19)27(31)35-25)33-17-11-7-15(8-12-17)16-9-13-18(14-10-16)34-22-6-2-4-20-24(22)28(32)36-26(20)30/h1-14H
InChIKeyAWJLFSZWJKKLLD-UHFFFAOYSA-N
MW478.41 g/mol
LogP5.56
Rot. Bonds5

About 4-[4-[4-[(1,3-dioxo-2-benzofuran-4-yl)oxy]phenyl]phenoxy]-2-benzofuran-1,3-dione

4-[4-[4-[(1,3-dioxo-2-benzofuran-4-yl)oxy]phenyl]phenoxy]-2-benzofuran-1,3-dione (PubChem CID 71365266) has the molecular formula C28H14O8 and a molecular weight of 478.41 g/mol. Its IUPAC name is 4-[4-[4-[(1,3-dioxo-2-benzofuran-4-yl)oxy]phenyl]phenoxy]-2-benzofuran-1,3-dione.

Molecular Properties

Compound Name4-[4-[4-[(1,3-dioxo-2-benzofuran-4-yl)oxy]phenyl]phenoxy]-2-benzofuran-1,3-dione
PubChem CID71365266
Molecular FormulaC28H14O8
Molecular Weight478.41 g/mol
Exact Mass478.07
IUPAC Name4-[4-[4-[(1,3-dioxo-2-benzofuran-4-yl)oxy]phenyl]phenoxy]-2-benzofuran-1,3-dione
SMILESO=C1OC(=O)c2c(Oc3ccc(-c4ccc(Oc5cccc6c5C(=O)OC6=O)cc4)cc3)cccc21
InChIInChI=1S/C28H14O8/c29-25-19-3-1-5-21(23(19)27(31)35-25)33-17-11-7-15(8-12-17)16-9-13-18(14-10-16)34-22-6-2-4-20-24(22)28(32)36-26(20)30/h1-14H
InChIKeyAWJLFSZWJKKLLD-UHFFFAOYSA-N
XLogP5.56
TPSA105.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.41
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 4-[4-[4-[(1,3-dioxo-2-benzofuran-4-yl)oxy]phenyl]phenoxy]-2-benzofuran-1,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-[(1,3-dioxo-2-benzofuran-4-yl)oxy]phenyl]phenoxy]-2-benzofuran-1,3-dione?
The IUPAC name of 4-[4-[4-[(1,3-dioxo-2-benzofuran-4-yl)oxy]phenyl]phenoxy]-2-benzofuran-1,3-dione (CID 71365266) is 4-[4-[4-[(1,3-dioxo-2-benzofuran-4-yl)oxy]phenyl]phenoxy]-2-benzofuran-1,3-dione.
What is the SMILES notation for 4-[4-[4-[(1,3-dioxo-2-benzofuran-4-yl)oxy]phenyl]phenoxy]-2-benzofuran-1,3-dione?
The canonical SMILES for 4-[4-[4-[(1,3-dioxo-2-benzofuran-4-yl)oxy]phenyl]phenoxy]-2-benzofuran-1,3-dione is O=C1OC(=O)c2c(Oc3ccc(-c4ccc(Oc5cccc6c5C(=O)OC6=O)cc4)cc3)cccc21.
What is the InChIKey of 4-[4-[4-[(1,3-dioxo-2-benzofuran-4-yl)oxy]phenyl]phenoxy]-2-benzofuran-1,3-dione?
The InChIKey is AWJLFSZWJKKLLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H14O8/c29-25-19-3-1-5-21(23(19)27(31)35-25)33-17-11-7-15(8-12-17)16-9-13-18(14-10-16)34-22-6-2-4-20-24(22)28(32)36-26(20)30/h1-14H.
What are the key properties of 4-[4-[4-[(1,3-dioxo-2-benzofuran-4-yl)oxy]phenyl]phenoxy]-2-benzofuran-1,3-dione?
4-[4-[4-[(1,3-dioxo-2-benzofuran-4-yl)oxy]phenyl]phenoxy]-2-benzofuran-1,3-dione has a molecular weight of 478.41 g/mol, XLogP of 5.56, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-[(1,3-dioxo-2-benzofuran-4-yl)oxy]phenyl]phenoxy]-2-benzofuran-1,3-dione is sourced from PubChem (CID 71365266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).