1-hydroxy-3-(3-hydroxy-4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)pyrrole-2,5-dione

C20H19NO8 — CID 46184930

IUPAC1-hydroxy-3-(3-hydroxy-4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)pyrrole-2,5-dione
SMILESCOc1ccc(C2=C(c3cc(OC)c(OC)c(OC)c3)C(=O)N(O)C2=O)cc1O
InChIInChI=1S/C20H19NO8/c1-26-13-6-5-10(7-12(13)22)16-17(20(24)21(25)19(16)23)11-8-14(27-2)18(29-4)15(9-11)28-3/h5-9,22,25H,1-4H3
InChIKeyDHOVLCXYEXUHPD-UHFFFAOYSA-N
MW401.37 g/mol
LogP2.10
Rot. Bonds6

About 1-hydroxy-3-(3-hydroxy-4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)pyrrole-2,5-dione

1-hydroxy-3-(3-hydroxy-4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)pyrrole-2,5-dione (PubChem CID 46184930) has the molecular formula C20H19NO8 and a molecular weight of 401.37 g/mol. Its IUPAC name is 1-hydroxy-3-(3-hydroxy-4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-hydroxy-3-(3-hydroxy-4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)pyrrole-2,5-dione
PubChem CID46184930
Molecular FormulaC20H19NO8
Molecular Weight401.37 g/mol
Exact Mass401.11
IUPAC Name1-hydroxy-3-(3-hydroxy-4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)pyrrole-2,5-dione
SMILESCOc1ccc(C2=C(c3cc(OC)c(OC)c(OC)c3)C(=O)N(O)C2=O)cc1O
InChIInChI=1S/C20H19NO8/c1-26-13-6-5-10(7-12(13)22)16-17(20(24)21(25)19(16)23)11-8-14(27-2)18(29-4)15(9-11)28-3/h5-9,22,25H,1-4H3
InChIKeyDHOVLCXYEXUHPD-UHFFFAOYSA-N
XLogP2.10
TPSA114.76 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.37
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-3-(3-hydroxy-4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)pyrrole-2,5-dione?
The IUPAC name of 1-hydroxy-3-(3-hydroxy-4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)pyrrole-2,5-dione (CID 46184930) is 1-hydroxy-3-(3-hydroxy-4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-hydroxy-3-(3-hydroxy-4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)pyrrole-2,5-dione?
The canonical SMILES for 1-hydroxy-3-(3-hydroxy-4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)pyrrole-2,5-dione is COc1ccc(C2=C(c3cc(OC)c(OC)c(OC)c3)C(=O)N(O)C2=O)cc1O.
What is the InChIKey of 1-hydroxy-3-(3-hydroxy-4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)pyrrole-2,5-dione?
The InChIKey is DHOVLCXYEXUHPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO8/c1-26-13-6-5-10(7-12(13)22)16-17(20(24)21(25)19(16)23)11-8-14(27-2)18(29-4)15(9-11)28-3/h5-9,22,25H,1-4H3.
What are the key properties of 1-hydroxy-3-(3-hydroxy-4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)pyrrole-2,5-dione?
1-hydroxy-3-(3-hydroxy-4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)pyrrole-2,5-dione has a molecular weight of 401.37 g/mol, XLogP of 2.10, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-3-(3-hydroxy-4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)pyrrole-2,5-dione is sourced from PubChem (CID 46184930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).