Bis(benzene-1,4-diol);benzylbenzene

C₂₅H₂₄O₄ — CID 159915102

About Bis(benzene-1,4-diol);benzylbenzene

Bis(benzene-1,4-diol);benzylbenzene (PubChem CID 159915102) has the molecular formula C₂₅H₂₄O₄ and a molecular weight of 388.46 g/mol. Its IUPAC name is bis(benzene-1,4-diol);benzylbenzene.

Molecular Properties

• Compound Name: Bis(benzene-1,4-diol);benzylbenzene
• PubChem CID: 159915102
• Molecular Formula: C₂₅H₂₄O₄
• Molecular Weight: 388.46 g/mol
• Exact Mass: 388.17
• IUPAC Name: bis(benzene-1,4-diol);benzylbenzene
• SMILES: Oc1ccc(O)cc1.Oc1ccc(O)cc1.c1ccc(Cc2ccccc2)cc1
• InChI: InChI=1S/C13H12.2C6H6O2/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;2*7-5-1-2-6(8)4-3-5/h1-10H,11H2;2*1-4,7-8H
• InChIKey: NXRFLJCULPDZHZ-UHFFFAOYSA-N
• XLogP: 5.47
• TPSA: 80.92 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	388.46
LogP ≤ 5	5.47
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Bis(benzene-1,4-diol);benzylbenzene?

The IUPAC name of Bis(benzene-1,4-diol);benzylbenzene (CID 159915102) is bis(benzene-1,4-diol);benzylbenzene.

What is the SMILES notation for Bis(benzene-1,4-diol);benzylbenzene?

The canonical SMILES for Bis(benzene-1,4-diol);benzylbenzene is Oc1ccc(O)cc1.Oc1ccc(O)cc1.c1ccc(Cc2ccccc2)cc1.

What is the InChIKey of Bis(benzene-1,4-diol);benzylbenzene?

The InChIKey is NXRFLJCULPDZHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12.2C6H6O2/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;2*7-5-1-2-6(8)4-3-5/h1-10H,11H2;2*1-4,7-8H.

What are the key properties of Bis(benzene-1,4-diol);benzylbenzene?

Bis(benzene-1,4-diol);benzylbenzene has a molecular weight of 388.46 g/mol, XLogP of 5.47, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for Bis(benzene-1,4-diol);benzylbenzene is sourced from PubChem (CID 159915102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 159915102 — identifiers, structure, computed properties (public domain)

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