3-[4-(2-ethoxyethoxy)phenyl]-7-phenylfuro[2,3-f][1]benzofuran-2,6-dione

C26H20O6 — CID 14028800

IUPAC3-[4-(2-ethoxyethoxy)phenyl]-7-phenylfuro[2,3-f][1]benzofuran-2,6-dione
SMILESCCOCCOc1ccc(C2=c3cc4c(cc3OC2=O)=C(c2ccccc2)C(=O)O4)cc1
InChIInChI=1S/C26H20O6/c1-2-29-12-13-30-18-10-8-17(9-11-18)24-20-15-21-19(14-22(20)32-26(24)28)23(25(27)31-21)16-6-4-3-5-7-16/h3-11,14-15H,2,12-13H2,1H3
InChIKeyRVSCVECSTUHLNN-UHFFFAOYSA-N
MW428.44 g/mol
LogP2.34
Rot. Bonds7

About 3-[4-(2-ethoxyethoxy)phenyl]-7-phenylfuro[2,3-f][1]benzofuran-2,6-dione

3-[4-(2-ethoxyethoxy)phenyl]-7-phenylfuro[2,3-f][1]benzofuran-2,6-dione (PubChem CID 14028800) has the molecular formula C26H20O6 and a molecular weight of 428.44 g/mol. Its IUPAC name is 3-[4-(2-ethoxyethoxy)phenyl]-7-phenylfuro[2,3-f][1]benzofuran-2,6-dione.

Molecular Properties

Compound Name3-[4-(2-ethoxyethoxy)phenyl]-7-phenylfuro[2,3-f][1]benzofuran-2,6-dione
PubChem CID14028800
Molecular FormulaC26H20O6
Molecular Weight428.44 g/mol
Exact Mass428.13
IUPAC Name3-[4-(2-ethoxyethoxy)phenyl]-7-phenylfuro[2,3-f][1]benzofuran-2,6-dione
SMILESCCOCCOc1ccc(C2=c3cc4c(cc3OC2=O)=C(c2ccccc2)C(=O)O4)cc1
InChIInChI=1S/C26H20O6/c1-2-29-12-13-30-18-10-8-17(9-11-18)24-20-15-21-19(14-22(20)32-26(24)28)23(25(27)31-21)16-6-4-3-5-7-16/h3-11,14-15H,2,12-13H2,1H3
InChIKeyRVSCVECSTUHLNN-UHFFFAOYSA-N
XLogP2.34
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.44
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(2Z)-2-(5-methoxy-2-oxo-3-phenyl-1-benzofuran-6-ylidene)-2-(4-propoxyphenyl)acetaldehyde
CID 154987071
3-[4-(2-methyl-N-(2-methylphenyl)anilino)phenyl]-7-phenylfuro[2,3-f][1]benzofuran-2,6-dione
CID 118655370
N'-[4-(2-ethoxyethoxy)benzoyl]-4-phenylbenzohydrazide
CID 17112731
1-phenyl-4-[2-[2-[2-[2-[2-(4-phenylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzene
CID 86003700
4-(2-ethoxyethoxy)-2-phenylbenzoic acid
CID 70387359
1-(ethoxymethoxy)-4-phenylbenzene
CID 146557132
3-[3-butyl-4-(ethylamino)phenyl]-7-phenylfuro[2,3-f][1]benzofuran-2,6-dione
CID 54199112
4-[4-(2-ethoxyethoxy)phenyl]benzaldehyde
CID 145127108
5,7-bis(2-ethoxyethoxy)-2-phenylchromen-4-one
CID 141482087
N,N-dibenzyl-2-[4-(2-ethoxyethoxy)phenoxy]acetamide
CID 4732976
(2-phenylphenyl) 4-(2-ethoxyethoxy)benzenesulfonate
CID 60588263
1-(2-ethoxyethoxy)-4-[4-(2-propan-2-yloxyethoxy)phenyl]benzene
CID 90249026

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-ethoxyethoxy)phenyl]-7-phenylfuro[2,3-f][1]benzofuran-2,6-dione?
The IUPAC name of 3-[4-(2-ethoxyethoxy)phenyl]-7-phenylfuro[2,3-f][1]benzofuran-2,6-dione (CID 14028800) is 3-[4-(2-ethoxyethoxy)phenyl]-7-phenylfuro[2,3-f][1]benzofuran-2,6-dione.
What is the SMILES notation for 3-[4-(2-ethoxyethoxy)phenyl]-7-phenylfuro[2,3-f][1]benzofuran-2,6-dione?
The canonical SMILES for 3-[4-(2-ethoxyethoxy)phenyl]-7-phenylfuro[2,3-f][1]benzofuran-2,6-dione is CCOCCOc1ccc(C2=c3cc4c(cc3OC2=O)=C(c2ccccc2)C(=O)O4)cc1.
What is the InChIKey of 3-[4-(2-ethoxyethoxy)phenyl]-7-phenylfuro[2,3-f][1]benzofuran-2,6-dione?
The InChIKey is RVSCVECSTUHLNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20O6/c1-2-29-12-13-30-18-10-8-17(9-11-18)24-20-15-21-19(14-22(20)32-26(24)28)23(25(27)31-21)16-6-4-3-5-7-16/h3-11,14-15H,2,12-13H2,1H3.
What are the key properties of 3-[4-(2-ethoxyethoxy)phenyl]-7-phenylfuro[2,3-f][1]benzofuran-2,6-dione?
3-[4-(2-ethoxyethoxy)phenyl]-7-phenylfuro[2,3-f][1]benzofuran-2,6-dione has a molecular weight of 428.44 g/mol, XLogP of 2.34, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-ethoxyethoxy)phenyl]-7-phenylfuro[2,3-f][1]benzofuran-2,6-dione is sourced from PubChem (CID 14028800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).