2-(4-hydroxyanilino)naphthalene-1,4-dione

C16H11NO3 — CID 739245

IUPAC2-(4-hydroxyanilino)naphthalene-1,4-dione
SMILESO=C1C=C(Nc2ccc(O)cc2)C(=O)c2ccccc21
InChIInChI=1S/C16H11NO3/c18-11-7-5-10(6-8-11)17-14-9-15(19)12-3-1-2-4-13(12)16(14)20/h1-9,17-18H
InChIKeyBLXXUTVXRNZUQX-UHFFFAOYSA-N
MW265.27 g/mol
LogP2.77
Rot. Bonds2

About 2-(4-hydroxyanilino)naphthalene-1,4-dione

2-(4-hydroxyanilino)naphthalene-1,4-dione (PubChem CID 739245) has the molecular formula C16H11NO3 and a molecular weight of 265.27 g/mol. Its IUPAC name is 2-(4-hydroxyanilino)naphthalene-1,4-dione.

Molecular Properties

Compound Name2-(4-hydroxyanilino)naphthalene-1,4-dione
PubChem CID739245
Molecular FormulaC16H11NO3
Molecular Weight265.27 g/mol
Exact Mass265.07
IUPAC Name2-(4-hydroxyanilino)naphthalene-1,4-dione
SMILESO=C1C=C(Nc2ccc(O)cc2)C(=O)c2ccccc21
InChIInChI=1S/C16H11NO3/c18-11-7-5-10(6-8-11)17-14-9-15(19)12-3-1-2-4-13(12)16(14)20/h1-9,17-18H
InChIKeyBLXXUTVXRNZUQX-UHFFFAOYSA-N
XLogP2.77
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyanilino)naphthalene-1,4-dione?
The IUPAC name of 2-(4-hydroxyanilino)naphthalene-1,4-dione (CID 739245) is 2-(4-hydroxyanilino)naphthalene-1,4-dione.
What is the SMILES notation for 2-(4-hydroxyanilino)naphthalene-1,4-dione?
The canonical SMILES for 2-(4-hydroxyanilino)naphthalene-1,4-dione is O=C1C=C(Nc2ccc(O)cc2)C(=O)c2ccccc21.
What is the InChIKey of 2-(4-hydroxyanilino)naphthalene-1,4-dione?
The InChIKey is BLXXUTVXRNZUQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11NO3/c18-11-7-5-10(6-8-11)17-14-9-15(19)12-3-1-2-4-13(12)16(14)20/h1-9,17-18H.
What are the key properties of 2-(4-hydroxyanilino)naphthalene-1,4-dione?
2-(4-hydroxyanilino)naphthalene-1,4-dione has a molecular weight of 265.27 g/mol, XLogP of 2.77, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyanilino)naphthalene-1,4-dione is sourced from PubChem (CID 739245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).