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

C23H19NO6 — CID 46184929

IUPAC1-hydroxy-3-naphthalen-2-yl-4-(3,4,5-trimethoxyphenyl)pyrrole-2,5-dione
SMILESCOc1cc(C2=C(c3ccc4ccccc4c3)C(=O)N(O)C2=O)cc(OC)c1OC
InChIInChI=1S/C23H19NO6/c1-28-17-11-16(12-18(29-2)21(17)30-3)20-19(22(25)24(27)23(20)26)15-9-8-13-6-4-5-7-14(13)10-15/h4-12,27H,1-3H3
InChIKeyBMJANQXMZWRSAY-UHFFFAOYSA-N
MW405.41 g/mol
LogP3.53
Rot. Bonds5

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

1-hydroxy-3-naphthalen-2-yl-4-(3,4,5-trimethoxyphenyl)pyrrole-2,5-dione (PubChem CID 46184929) has the molecular formula C23H19NO6 and a molecular weight of 405.41 g/mol. Its IUPAC name is 1-hydroxy-3-naphthalen-2-yl-4-(3,4,5-trimethoxyphenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-hydroxy-3-naphthalen-2-yl-4-(3,4,5-trimethoxyphenyl)pyrrole-2,5-dione
PubChem CID46184929
Molecular FormulaC23H19NO6
Molecular Weight405.41 g/mol
Exact Mass405.12
IUPAC Name1-hydroxy-3-naphthalen-2-yl-4-(3,4,5-trimethoxyphenyl)pyrrole-2,5-dione
SMILESCOc1cc(C2=C(c3ccc4ccccc4c3)C(=O)N(O)C2=O)cc(OC)c1OC
InChIInChI=1S/C23H19NO6/c1-28-17-11-16(12-18(29-2)21(17)30-3)20-19(22(25)24(27)23(20)26)15-9-8-13-6-4-5-7-14(13)10-15/h4-12,27H,1-3H3
InChIKeyBMJANQXMZWRSAY-UHFFFAOYSA-N
XLogP3.53
TPSA85.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.41
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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Related Compounds

methyl N-[[(E)-3-naphthalen-2-yl-2-(3,4,5-trimethoxyphenyl)prop-2-enoyl]amino]carbamate
CID 46865205
5-Naphthalen-2-yl-4-(3,4,5-trimethoxyphenyl)-1,2-dihydropyrazol-3-one
CID 46886110
methyl 3-naphthalen-2-yl-5-oxo-4-(3,4,5-trimethoxyphenyl)-1H-pyrazole-2-carboxylate
CID 46886525
3-(3,4-Dimethoxyphenyl)-4-phenyl-1-[(3,4,5-trimethoxyphenyl)methyl]pyrrole-2,5-dione
CID 134133478
1-Hydroxy-3-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)pyrrole-2,5-dione
CID 46184927
1-Hydroxy-3-(3-hydroxy-4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)pyrrole-2,5-dione
CID 46184930
3-Phenyl-4-(3,4,5-trimethoxyphenyl)pyrrole-2,5-dione
CID 11681623
3-Naphthalen-2-yl-2-(3,4,5-trimethoxyphenyl)cyclopent-2-en-1-one
CID 44301537
3-Naphthalen-2-yl-4-(3,4,5-trimethoxyphenyl)furan-2,5-dione
CID 46184664
1-Methoxy-3-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)pyrrole-2,5-dione
CID 46184928
1-Methoxy-3-naphthalen-2-yl-4-(3,4,5-trimethoxyphenyl)pyrrole-2,5-dione
CID 46185196
3-(3-Hydroxy-4-methoxyphenyl)-1-methoxy-4-(3,4,5-trimethoxyphenyl)pyrrole-2,5-dione
CID 46185197

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-3-naphthalen-2-yl-4-(3,4,5-trimethoxyphenyl)pyrrole-2,5-dione?
The IUPAC name of 1-hydroxy-3-naphthalen-2-yl-4-(3,4,5-trimethoxyphenyl)pyrrole-2,5-dione (CID 46184929) is 1-hydroxy-3-naphthalen-2-yl-4-(3,4,5-trimethoxyphenyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-hydroxy-3-naphthalen-2-yl-4-(3,4,5-trimethoxyphenyl)pyrrole-2,5-dione?
The canonical SMILES for 1-hydroxy-3-naphthalen-2-yl-4-(3,4,5-trimethoxyphenyl)pyrrole-2,5-dione is COc1cc(C2=C(c3ccc4ccccc4c3)C(=O)N(O)C2=O)cc(OC)c1OC.
What is the InChIKey of 1-hydroxy-3-naphthalen-2-yl-4-(3,4,5-trimethoxyphenyl)pyrrole-2,5-dione?
The InChIKey is BMJANQXMZWRSAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO6/c1-28-17-11-16(12-18(29-2)21(17)30-3)20-19(22(25)24(27)23(20)26)15-9-8-13-6-4-5-7-14(13)10-15/h4-12,27H,1-3H3.
What are the key properties of 1-hydroxy-3-naphthalen-2-yl-4-(3,4,5-trimethoxyphenyl)pyrrole-2,5-dione?
1-hydroxy-3-naphthalen-2-yl-4-(3,4,5-trimethoxyphenyl)pyrrole-2,5-dione has a molecular weight of 405.41 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-3-naphthalen-2-yl-4-(3,4,5-trimethoxyphenyl)pyrrole-2,5-dione is sourced from PubChem (CID 46184929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).