isoindole-1,3-dione;phenol

C26H23NO5 — CID 157178846

IUPACisoindole-1,3-dione;phenol
SMILESO=C1NC(=O)c2ccccc21.Oc1ccccc1.Oc1ccccc1.Oc1ccccc1
InChIInChI=1S/C8H5NO2.3C6H6O/c10-7-5-3-1-2-4-6(5)8(11)9-7;3*7-6-4-2-1-3-5-6/h1-4H,(H,9,10,11);3*1-5,7H
InChIKeyAOILTOGQAUQZQN-UHFFFAOYSA-N
MW429.47 g/mol
LogP4.75
Rot. Bonds

About isoindole-1,3-dione;phenol

isoindole-1,3-dione;phenol (PubChem CID 157178846) has the molecular formula C26H23NO5 and a molecular weight of 429.47 g/mol. Its IUPAC name is isoindole-1,3-dione;phenol.

Molecular Properties

Compound Nameisoindole-1,3-dione;phenol
PubChem CID157178846
Molecular FormulaC26H23NO5
Molecular Weight429.47 g/mol
Exact Mass429.16
IUPAC Nameisoindole-1,3-dione;phenol
SMILESO=C1NC(=O)c2ccccc21.Oc1ccccc1.Oc1ccccc1.Oc1ccccc1
InChIInChI=1S/C8H5NO2.3C6H6O/c10-7-5-3-1-2-4-6(5)8(11)9-7;3*7-6-4-2-1-3-5-6/h1-4H,(H,9,10,11);3*1-5,7H
InChIKeyAOILTOGQAUQZQN-UHFFFAOYSA-N
XLogP4.75
TPSA106.86 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.47
LogP ≤ 54.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

lithium isoindole-1,3-dione
CID 18764300
CID 158403573
CID 158403573
hydron;isoindole-1,3-dione
CID 174301362
isoindole-1,3-dione;phosphane
CID 89428738
dipotassium;hydride;isoindole-1,3-dione
CID 173033461
CID 157233017
CID 157233017
(Z)-but-2-enedioic acid;isoindole-1,3-dione
CID 69393204
bromomethane;isoindole-1,3-dione
CID 158684384
phenol;5-(2-phenylethynyl)isoindole-1,3-dione
CID 69299833
chloroform;isoindole-1,3-dione
CID 157323823
dichloromethane;isoindole-1,3-dione
CID 159399465
CID 175168561
CID 175168561

Frequently Asked Questions

What is the IUPAC name of isoindole-1,3-dione;phenol?
The IUPAC name of isoindole-1,3-dione;phenol (CID 157178846) is isoindole-1,3-dione;phenol.
What is the SMILES notation for isoindole-1,3-dione;phenol?
The canonical SMILES for isoindole-1,3-dione;phenol is O=C1NC(=O)c2ccccc21.Oc1ccccc1.Oc1ccccc1.Oc1ccccc1.
What is the InChIKey of isoindole-1,3-dione;phenol?
The InChIKey is AOILTOGQAUQZQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5NO2.3C6H6O/c10-7-5-3-1-2-4-6(5)8(11)9-7;3*7-6-4-2-1-3-5-6/h1-4H,(H,9,10,11);3*1-5,7H.
What are the key properties of isoindole-1,3-dione;phenol?
isoindole-1,3-dione;phenol has a molecular weight of 429.47 g/mol, XLogP of 4.75, 0 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for isoindole-1,3-dione;phenol is sourced from PubChem (CID 157178846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).