5-[3-(2,2-dihydroxy-1,3-dioxoinden-5-yl)phenyl]-2,2-dihydroxyindene-1,3-dione

C24H14O8 — CID 59435063

IUPAC5-[3-(2,2-dihydroxy-1,3-dioxoinden-5-yl)phenyl]-2,2-dihydroxyindene-1,3-dione
SMILESO=C1c2ccc(-c3cccc(-c4ccc5c(c4)C(=O)C(O)(O)C5=O)c3)cc2C(=O)C1(O)O
InChIInChI=1S/C24H14O8/c25-19-15-6-4-13(9-17(15)21(27)23(19,29)30)11-2-1-3-12(8-11)14-5-7-16-18(10-14)22(28)24(31,32)20(16)26/h1-10,29-32H
InChIKeyYTZVOYUOIQSHEK-UHFFFAOYSA-N
MW430.37 g/mol
LogP1.14
Rot. Bonds2

About 5-[3-(2,2-dihydroxy-1,3-dioxoinden-5-yl)phenyl]-2,2-dihydroxyindene-1,3-dione

5-[3-(2,2-dihydroxy-1,3-dioxoinden-5-yl)phenyl]-2,2-dihydroxyindene-1,3-dione (PubChem CID 59435063) has the molecular formula C24H14O8 and a molecular weight of 430.37 g/mol. Its IUPAC name is 5-[3-(2,2-dihydroxy-1,3-dioxoinden-5-yl)phenyl]-2,2-dihydroxyindene-1,3-dione.

Molecular Properties

Compound Name5-[3-(2,2-dihydroxy-1,3-dioxoinden-5-yl)phenyl]-2,2-dihydroxyindene-1,3-dione
PubChem CID59435063
Molecular FormulaC24H14O8
Molecular Weight430.37 g/mol
Exact Mass430.07
IUPAC Name5-[3-(2,2-dihydroxy-1,3-dioxoinden-5-yl)phenyl]-2,2-dihydroxyindene-1,3-dione
SMILESO=C1c2ccc(-c3cccc(-c4ccc5c(c4)C(=O)C(O)(O)C5=O)c3)cc2C(=O)C1(O)O
InChIInChI=1S/C24H14O8/c25-19-15-6-4-13(9-17(15)21(27)23(19,29)30)11-2-1-3-12(8-11)14-5-7-16-18(10-14)22(28)24(31,32)20(16)26/h1-10,29-32H
InChIKeyYTZVOYUOIQSHEK-UHFFFAOYSA-N
XLogP1.14
TPSA149.20 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.37
LogP ≤ 51.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_A(68)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 5-[3-(2,2-dihydroxy-1,3-dioxoinden-5-yl)phenyl]-2,2-dihydroxyindene-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

Related Compounds

2,2-dihydroxyindene-1,3-dione;pyridine
CID 67634501
5-[3-(2-methylthiophen-3-yl)phenyl]isoindole-1,3-dione
CID 175019617
bicyclo[3.1.0]hexa-1(6),2,4-triene;hydroiodide
CID 174338176
1-phenyl-3-(3-phenylphenyl)-5-[2-phenyl-5-(3-phenylphenyl)phenyl]benzene
CID 143438062
bicyclo[3.1.0]hexa-1(6),2,4-triene;methanediol
CID 175364747
1,4-bis[3-(3-phenylphenyl)phenyl]benzene
CID 123341500
1-phenyl-4-[3-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene
CID 12623236
3-hydroxy-5-phenyl-2,3-dihydroisoindol-1-one
CID 175436163
3-azabicyclo[3.3.1]nona-1(9),5,7-triene-2,4-dione
CID 18926764
5-[4-[4-[4-(1,3-dioxo-2-benzofuran-5-yl)phenyl]phenyl]phenyl]-2-benzofuran-1,3-dione
CID 102372125
5-[4-[4-[4-[4-(1,3-dioxoisoindol-5-yl)phenyl]phenyl]phenyl]phenyl]isoindole-1,3-dione
CID 102137846
1,2,4-triphenylbenzene;1,3,5-triphenylbenzene
CID 162004033

Frequently Asked Questions

What is the IUPAC name of 5-[3-(2,2-dihydroxy-1,3-dioxoinden-5-yl)phenyl]-2,2-dihydroxyindene-1,3-dione?
The IUPAC name of 5-[3-(2,2-dihydroxy-1,3-dioxoinden-5-yl)phenyl]-2,2-dihydroxyindene-1,3-dione (CID 59435063) is 5-[3-(2,2-dihydroxy-1,3-dioxoinden-5-yl)phenyl]-2,2-dihydroxyindene-1,3-dione.
What is the SMILES notation for 5-[3-(2,2-dihydroxy-1,3-dioxoinden-5-yl)phenyl]-2,2-dihydroxyindene-1,3-dione?
The canonical SMILES for 5-[3-(2,2-dihydroxy-1,3-dioxoinden-5-yl)phenyl]-2,2-dihydroxyindene-1,3-dione is O=C1c2ccc(-c3cccc(-c4ccc5c(c4)C(=O)C(O)(O)C5=O)c3)cc2C(=O)C1(O)O.
What is the InChIKey of 5-[3-(2,2-dihydroxy-1,3-dioxoinden-5-yl)phenyl]-2,2-dihydroxyindene-1,3-dione?
The InChIKey is YTZVOYUOIQSHEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14O8/c25-19-15-6-4-13(9-17(15)21(27)23(19,29)30)11-2-1-3-12(8-11)14-5-7-16-18(10-14)22(28)24(31,32)20(16)26/h1-10,29-32H.
What are the key properties of 5-[3-(2,2-dihydroxy-1,3-dioxoinden-5-yl)phenyl]-2,2-dihydroxyindene-1,3-dione?
5-[3-(2,2-dihydroxy-1,3-dioxoinden-5-yl)phenyl]-2,2-dihydroxyindene-1,3-dione has a molecular weight of 430.37 g/mol, XLogP of 1.14, 2 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2,2-dihydroxy-1,3-dioxoinden-5-yl)phenyl]-2,2-dihydroxyindene-1,3-dione is sourced from PubChem (CID 59435063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).