2-(2-hydroxy-4-methylphenyl)-5-[2-(2-hydroxy-4-methylphenyl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione

C31H20N2O7 — CID 2831558

IUPAC2-(2-hydroxy-4-methylphenyl)-5-[2-(2-hydroxy-4-methylphenyl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione
SMILESCc1ccc(N2C(=O)c3ccc(C(=O)c4ccc5c(c4)C(=O)N(c4ccc(C)cc4O)C5=O)cc3C2=O)c(O)c1
InChIInChI=1S/C31H20N2O7/c1-15-3-9-23(25(34)11-15)32-28(37)19-7-5-17(13-21(19)30(32)39)27(36)18-6-8-20-22(14-18)31(40)33(29(20)38)24-10-4-16(2)12-26(24)35/h3-14,34-35H,1-2H3
InChIKeyHSLWBWZUDWWHNZ-UHFFFAOYSA-N
MW532.51 g/mol
LogP4.55
Rot. Bonds4

About 2-(2-hydroxy-4-methylphenyl)-5-[2-(2-hydroxy-4-methylphenyl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione

2-(2-hydroxy-4-methylphenyl)-5-[2-(2-hydroxy-4-methylphenyl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione (PubChem CID 2831558) has the molecular formula C31H20N2O7 and a molecular weight of 532.51 g/mol. Its IUPAC name is 2-(2-hydroxy-4-methylphenyl)-5-[2-(2-hydroxy-4-methylphenyl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-(2-hydroxy-4-methylphenyl)-5-[2-(2-hydroxy-4-methylphenyl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione
PubChem CID2831558
Molecular FormulaC31H20N2O7
Molecular Weight532.51 g/mol
Exact Mass532.13
IUPAC Name2-(2-hydroxy-4-methylphenyl)-5-[2-(2-hydroxy-4-methylphenyl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione
SMILESCc1ccc(N2C(=O)c3ccc(C(=O)c4ccc5c(c4)C(=O)N(c4ccc(C)cc4O)C5=O)cc3C2=O)c(O)c1
InChIInChI=1S/C31H20N2O7/c1-15-3-9-23(25(34)11-15)32-28(37)19-7-5-17(13-21(19)30(32)39)27(36)18-6-8-20-22(14-18)31(40)33(29(20)38)24-10-4-16(2)12-26(24)35/h3-14,34-35H,1-2H3
InChIKeyHSLWBWZUDWWHNZ-UHFFFAOYSA-N
XLogP4.55
TPSA132.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.51
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxy-4-methylphenyl)-5-[2-(2-hydroxy-4-methylphenyl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione?
The IUPAC name of 2-(2-hydroxy-4-methylphenyl)-5-[2-(2-hydroxy-4-methylphenyl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione (CID 2831558) is 2-(2-hydroxy-4-methylphenyl)-5-[2-(2-hydroxy-4-methylphenyl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione.
What is the SMILES notation for 2-(2-hydroxy-4-methylphenyl)-5-[2-(2-hydroxy-4-methylphenyl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione?
The canonical SMILES for 2-(2-hydroxy-4-methylphenyl)-5-[2-(2-hydroxy-4-methylphenyl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione is Cc1ccc(N2C(=O)c3ccc(C(=O)c4ccc5c(c4)C(=O)N(c4ccc(C)cc4O)C5=O)cc3C2=O)c(O)c1.
What is the InChIKey of 2-(2-hydroxy-4-methylphenyl)-5-[2-(2-hydroxy-4-methylphenyl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione?
The InChIKey is HSLWBWZUDWWHNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H20N2O7/c1-15-3-9-23(25(34)11-15)32-28(37)19-7-5-17(13-21(19)30(32)39)27(36)18-6-8-20-22(14-18)31(40)33(29(20)38)24-10-4-16(2)12-26(24)35/h3-14,34-35H,1-2H3.
What are the key properties of 2-(2-hydroxy-4-methylphenyl)-5-[2-(2-hydroxy-4-methylphenyl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione?
2-(2-hydroxy-4-methylphenyl)-5-[2-(2-hydroxy-4-methylphenyl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione has a molecular weight of 532.51 g/mol, XLogP of 4.55, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-4-methylphenyl)-5-[2-(2-hydroxy-4-methylphenyl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione is sourced from PubChem (CID 2831558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).