4,9-bis(2-hydroxyphenyl)benzo[f]isoindole-1,3-dione

C24H15NO4 — CID 11291966

IUPAC4,9-bis(2-hydroxyphenyl)benzo[f]isoindole-1,3-dione
SMILESO=C1NC(=O)c2c1c(-c1ccccc1O)c1ccccc1c2-c1ccccc1O
InChIInChI=1S/C24H15NO4/c26-17-11-5-3-9-15(17)19-13-7-1-2-8-14(13)20(16-10-4-6-12-18(16)27)22-21(19)23(28)25-24(22)29/h1-12,26-27H,(H,25,28,29)
InChIKeyPWHGRXAJSVSRDS-UHFFFAOYSA-N
MW381.39 g/mol
LogP4.47
Rot. Bonds2

About 4,9-bis(2-hydroxyphenyl)benzo[f]isoindole-1,3-dione

4,9-bis(2-hydroxyphenyl)benzo[f]isoindole-1,3-dione (PubChem CID 11291966) has the molecular formula C24H15NO4 and a molecular weight of 381.39 g/mol. Its IUPAC name is 4,9-bis(2-hydroxyphenyl)benzo[f]isoindole-1,3-dione.

Molecular Properties

Compound Name4,9-bis(2-hydroxyphenyl)benzo[f]isoindole-1,3-dione
PubChem CID11291966
Molecular FormulaC24H15NO4
Molecular Weight381.39 g/mol
Exact Mass381.10
IUPAC Name4,9-bis(2-hydroxyphenyl)benzo[f]isoindole-1,3-dione
SMILESO=C1NC(=O)c2c1c(-c1ccccc1O)c1ccccc1c2-c1ccccc1O
InChIInChI=1S/C24H15NO4/c26-17-11-5-3-9-15(17)19-13-7-1-2-8-14(13)20(16-10-4-6-12-18(16)27)22-21(19)23(28)25-24(22)29/h1-12,26-27H,(H,25,28,29)
InChIKeyPWHGRXAJSVSRDS-UHFFFAOYSA-N
XLogP4.47
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.39
LogP ≤ 54.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

hydrazine;4-hydroxyisoindole-1,3-dione
CID 172812376
4-chloro-5-hydroxybenzo[e]isoindole-1,3-dione
CID 69410118
5-methylbenzo[e]isoindole-1,3-dione
CID 132606674
4,6-dihydroxy-5-phenylbenzo[de]isoquinoline-1,3-dione
CID 91824339
isoindole-1,3-dione;phenol
CID 157178846
1,3-dioxobenzo[e]isoindole-4,5-dicarboxylic acid
CID 70631194
naphtho[2,1-e]isoindole-1,3-dione
CID 87830454
CID 158403573
CID 158403573
hydron;isoindole-1,3-dione
CID 174301362
isoindole-1,3-dione;phosphane
CID 89428738
lithium isoindole-1,3-dione
CID 18764300
naphthalene;2-(10-phenylanthracen-9-yl)phenol
CID 157129237

Frequently Asked Questions

What is the IUPAC name of 4,9-bis(2-hydroxyphenyl)benzo[f]isoindole-1,3-dione?
The IUPAC name of 4,9-bis(2-hydroxyphenyl)benzo[f]isoindole-1,3-dione (CID 11291966) is 4,9-bis(2-hydroxyphenyl)benzo[f]isoindole-1,3-dione.
What is the SMILES notation for 4,9-bis(2-hydroxyphenyl)benzo[f]isoindole-1,3-dione?
The canonical SMILES for 4,9-bis(2-hydroxyphenyl)benzo[f]isoindole-1,3-dione is O=C1NC(=O)c2c1c(-c1ccccc1O)c1ccccc1c2-c1ccccc1O.
What is the InChIKey of 4,9-bis(2-hydroxyphenyl)benzo[f]isoindole-1,3-dione?
The InChIKey is PWHGRXAJSVSRDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15NO4/c26-17-11-5-3-9-15(17)19-13-7-1-2-8-14(13)20(16-10-4-6-12-18(16)27)22-21(19)23(28)25-24(22)29/h1-12,26-27H,(H,25,28,29).
What are the key properties of 4,9-bis(2-hydroxyphenyl)benzo[f]isoindole-1,3-dione?
4,9-bis(2-hydroxyphenyl)benzo[f]isoindole-1,3-dione has a molecular weight of 381.39 g/mol, XLogP of 4.47, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,9-bis(2-hydroxyphenyl)benzo[f]isoindole-1,3-dione is sourced from PubChem (CID 11291966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).