4-hydroxy-3-(4-methoxybenzenecarboximidoyl)naphthalene-1,2-dione

C₁₈H₁₃NO₄ — CID 135784059

About 4-hydroxy-3-(4-methoxybenzenecarboximidoyl)naphthalene-1,2-dione

4-hydroxy-3-(4-methoxybenzenecarboximidoyl)naphthalene-1,2-dione (PubChem CID 135784059) has the molecular formula C₁₈H₁₃NO₄ and a molecular weight of 307.31 g/mol. Its IUPAC name is 4-hydroxy-3-(4-methoxybenzenecarboximidoyl)naphthalene-1,2-dione.

Molecular Properties

• Compound Name: 4-hydroxy-3-(4-methoxybenzenecarboximidoyl)naphthalene-1,2-dione
• PubChem CID: 135784059
• Molecular Formula: C₁₈H₁₃NO₄
• Molecular Weight: 307.31 g/mol
• Exact Mass: 307.08
• IUPAC Name: 4-hydroxy-3-(4-methoxybenzenecarboximidoyl)naphthalene-1,2-dione
• SMILES: [H]/N=C(/C1=C(O)c2ccccc2C(=O)C1=O)c1ccc(OC)cc1
• InChI: InChI=1S/C18H13NO4/c1-23-11-8-6-10(7-9-11)15(19)14-16(20)12-4-2-3-5-13(12)17(21)18(14)22/h2-9,19-20H,1H3/b19-15+
• InChIKey: JPJDNKJDNUQMHI-XDJHFCHBSA-N
• XLogP: 2.80
• TPSA: 87.45 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	307.31
LogP ≤ 5	2.80
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-(4-methoxybenzenecarboximidoyl)naphthalene-1,2-dione?

The IUPAC name of 4-hydroxy-3-(4-methoxybenzenecarboximidoyl)naphthalene-1,2-dione (CID 135784059) is 4-hydroxy-3-(4-methoxybenzenecarboximidoyl)naphthalene-1,2-dione.

What is the SMILES notation for 4-hydroxy-3-(4-methoxybenzenecarboximidoyl)naphthalene-1,2-dione?

The canonical SMILES for 4-hydroxy-3-(4-methoxybenzenecarboximidoyl)naphthalene-1,2-dione is [H]/N=C(/C1=C(O)c2ccccc2C(=O)C1=O)c1ccc(OC)cc1.

What is the InChIKey of 4-hydroxy-3-(4-methoxybenzenecarboximidoyl)naphthalene-1,2-dione?

The InChIKey is JPJDNKJDNUQMHI-XDJHFCHBSA-N. The full InChI is InChI=1S/C18H13NO4/c1-23-11-8-6-10(7-9-11)15(19)14-16(20)12-4-2-3-5-13(12)17(21)18(14)22/h2-9,19-20H,1H3/b19-15+.

What are the key properties of 4-hydroxy-3-(4-methoxybenzenecarboximidoyl)naphthalene-1,2-dione?

4-hydroxy-3-(4-methoxybenzenecarboximidoyl)naphthalene-1,2-dione has a molecular weight of 307.31 g/mol, XLogP of 2.80, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-hydroxy-3-(4-methoxybenzenecarboximidoyl)naphthalene-1,2-dione is sourced from PubChem (CID 135784059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 135784059 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.