(2Z)-2-[(E)-1-hydroxy-3-phenylprop-2-enylidene]-4a,9a-dimethoxy-4,9-dihydroxanthene-1,3-dione

C24H22O6 — CID 14681547

IUPAC(2Z)-2-[(E)-1-hydroxy-3-phenylprop-2-enylidene]-4a,9a-dimethoxy-4,9-dihydroxanthene-1,3-dione
SMILESCOC12CC(=O)/C(=C(O)\C=C\c3ccccc3)C(=O)C1(OC)Cc1ccccc1O2
InChIInChI=1S/C24H22O6/c1-28-23-14-17-10-6-7-11-20(17)30-24(23,29-2)15-19(26)21(22(23)27)18(25)13-12-16-8-4-3-5-9-16/h3-13,25H,14-15H2,1-2H3/b13-12+,21-18-
InChIKeyDTOFGOYMLFWLBI-CXPPDOQTSA-N
MW406.43 g/mol
LogP3.42
Rot. Bonds4

About (2Z)-2-[(E)-1-hydroxy-3-phenylprop-2-enylidene]-4a,9a-dimethoxy-4,9-dihydroxanthene-1,3-dione

(2Z)-2-[(E)-1-hydroxy-3-phenylprop-2-enylidene]-4a,9a-dimethoxy-4,9-dihydroxanthene-1,3-dione (PubChem CID 14681547) has the molecular formula C24H22O6 and a molecular weight of 406.43 g/mol. Its IUPAC name is (2Z)-2-[(E)-1-hydroxy-3-phenylprop-2-enylidene]-4a,9a-dimethoxy-4,9-dihydroxanthene-1,3-dione.

Molecular Properties

Compound Name(2Z)-2-[(E)-1-hydroxy-3-phenylprop-2-enylidene]-4a,9a-dimethoxy-4,9-dihydroxanthene-1,3-dione
PubChem CID14681547
Molecular FormulaC24H22O6
Molecular Weight406.43 g/mol
Exact Mass406.14
IUPAC Name(2Z)-2-[(E)-1-hydroxy-3-phenylprop-2-enylidene]-4a,9a-dimethoxy-4,9-dihydroxanthene-1,3-dione
SMILESCOC12CC(=O)/C(=C(O)\C=C\c3ccccc3)C(=O)C1(OC)Cc1ccccc1O2
InChIInChI=1S/C24H22O6/c1-28-23-14-17-10-6-7-11-20(17)30-24(23,29-2)15-19(26)21(22(23)27)18(25)13-12-16-8-4-3-5-9-16/h3-13,25H,14-15H2,1-2H3/b13-12+,21-18-
InChIKeyDTOFGOYMLFWLBI-CXPPDOQTSA-N
XLogP3.42
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.43
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

Analyze (2Z)-2-[(E)-1-hydroxy-3-phenylprop-2-enylidene]-4a,9a-dimethoxy-4,9-dihydroxanthene-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 (2Z)-2-[(E)-1-hydroxy-3-phenylprop-2-enylidene]-4a,9a-dimethoxy-4,9-dihydroxanthene-1,3-dione?
The IUPAC name of (2Z)-2-[(E)-1-hydroxy-3-phenylprop-2-enylidene]-4a,9a-dimethoxy-4,9-dihydroxanthene-1,3-dione (CID 14681547) is (2Z)-2-[(E)-1-hydroxy-3-phenylprop-2-enylidene]-4a,9a-dimethoxy-4,9-dihydroxanthene-1,3-dione.
What is the SMILES notation for (2Z)-2-[(E)-1-hydroxy-3-phenylprop-2-enylidene]-4a,9a-dimethoxy-4,9-dihydroxanthene-1,3-dione?
The canonical SMILES for (2Z)-2-[(E)-1-hydroxy-3-phenylprop-2-enylidene]-4a,9a-dimethoxy-4,9-dihydroxanthene-1,3-dione is COC12CC(=O)/C(=C(O)\C=C\c3ccccc3)C(=O)C1(OC)Cc1ccccc1O2.
What is the InChIKey of (2Z)-2-[(E)-1-hydroxy-3-phenylprop-2-enylidene]-4a,9a-dimethoxy-4,9-dihydroxanthene-1,3-dione?
The InChIKey is DTOFGOYMLFWLBI-CXPPDOQTSA-N. The full InChI is InChI=1S/C24H22O6/c1-28-23-14-17-10-6-7-11-20(17)30-24(23,29-2)15-19(26)21(22(23)27)18(25)13-12-16-8-4-3-5-9-16/h3-13,25H,14-15H2,1-2H3/b13-12+,21-18-.
What are the key properties of (2Z)-2-[(E)-1-hydroxy-3-phenylprop-2-enylidene]-4a,9a-dimethoxy-4,9-dihydroxanthene-1,3-dione?
(2Z)-2-[(E)-1-hydroxy-3-phenylprop-2-enylidene]-4a,9a-dimethoxy-4,9-dihydroxanthene-1,3-dione has a molecular weight of 406.43 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(E)-1-hydroxy-3-phenylprop-2-enylidene]-4a,9a-dimethoxy-4,9-dihydroxanthene-1,3-dione is sourced from PubChem (CID 14681547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).