(2E)-2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-9-(4-oxochromen-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione

C29H18O8 — CID 176586165

IUPAC(2E)-2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-9-(4-oxochromen-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
SMILESO=C1CC(c2coc3ccccc3c2=O)c2c(ccc3c2O/C(=C/c2ccc4c(c2)OCCO4)C3=O)O1
InChIInChI=1S/C29H18O8/c30-25-13-18(19-14-35-20-4-2-1-3-16(20)27(19)31)26-22(36-25)8-6-17-28(32)24(37-29(17)26)12-15-5-7-21-23(11-15)34-10-9-33-21/h1-8,11-12,14,18H,9-10,13H2/b24-12+
InChIKeyWONSVGCMJFJESM-WYMPLXKRSA-N
MW494.46 g/mol
LogP4.62
Rot. Bonds2

About (2E)-2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-9-(4-oxochromen-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione

(2E)-2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-9-(4-oxochromen-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione (PubChem CID 176586165) has the molecular formula C29H18O8 and a molecular weight of 494.46 g/mol. Its IUPAC name is (2E)-2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-9-(4-oxochromen-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione.

Molecular Properties

Compound Name(2E)-2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-9-(4-oxochromen-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
PubChem CID176586165
Molecular FormulaC29H18O8
Molecular Weight494.46 g/mol
Exact Mass494.10
IUPAC Name(2E)-2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-9-(4-oxochromen-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
SMILESO=C1CC(c2coc3ccccc3c2=O)c2c(ccc3c2O/C(=C/c2ccc4c(c2)OCCO4)C3=O)O1
InChIInChI=1S/C29H18O8/c30-25-13-18(19-14-35-20-4-2-1-3-16(20)27(19)31)26-22(36-25)8-6-17-28(32)24(37-29(17)26)12-15-5-7-21-23(11-15)34-10-9-33-21/h1-8,11-12,14,18H,9-10,13H2/b24-12+
InChIKeyWONSVGCMJFJESM-WYMPLXKRSA-N
XLogP4.62
TPSA101.27 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.46
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze (2E)-2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-9-(4-oxochromen-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-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 (2E)-2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-9-(4-oxochromen-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione?
The IUPAC name of (2E)-2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-9-(4-oxochromen-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione (CID 176586165) is (2E)-2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-9-(4-oxochromen-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione.
What is the SMILES notation for (2E)-2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-9-(4-oxochromen-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione?
The canonical SMILES for (2E)-2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-9-(4-oxochromen-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione is O=C1CC(c2coc3ccccc3c2=O)c2c(ccc3c2O/C(=C/c2ccc4c(c2)OCCO4)C3=O)O1.
What is the InChIKey of (2E)-2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-9-(4-oxochromen-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione?
The InChIKey is WONSVGCMJFJESM-WYMPLXKRSA-N. The full InChI is InChI=1S/C29H18O8/c30-25-13-18(19-14-35-20-4-2-1-3-16(20)27(19)31)26-22(36-25)8-6-17-28(32)24(37-29(17)26)12-15-5-7-21-23(11-15)34-10-9-33-21/h1-8,11-12,14,18H,9-10,13H2/b24-12+.
What are the key properties of (2E)-2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-9-(4-oxochromen-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione?
(2E)-2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-9-(4-oxochromen-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione has a molecular weight of 494.46 g/mol, XLogP of 4.62, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-9-(4-oxochromen-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione is sourced from PubChem (CID 176586165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).