2-(furan-2-yloxy)naphthalene-1,4-dione

C14H8O4 — CID 164615147

IUPAC2-(furan-2-yloxy)naphthalene-1,4-dione
SMILESO=C1C=C(Oc2ccco2)C(=O)c2ccccc21
InChIInChI=1S/C14H8O4/c15-11-8-12(18-13-6-3-7-17-13)14(16)10-5-2-1-4-9(10)11/h1-8H
InChIKeyDZJKAFXNPOZNDG-UHFFFAOYSA-N
MW240.21 g/mol
LogP2.62
Rot. Bonds2

About 2-(furan-2-yloxy)naphthalene-1,4-dione

2-(furan-2-yloxy)naphthalene-1,4-dione (PubChem CID 164615147) has the molecular formula C14H8O4 and a molecular weight of 240.21 g/mol. Its IUPAC name is 2-(furan-2-yloxy)naphthalene-1,4-dione.

Molecular Properties

Compound Name2-(furan-2-yloxy)naphthalene-1,4-dione
PubChem CID164615147
Molecular FormulaC14H8O4
Molecular Weight240.21 g/mol
Exact Mass240.04
IUPAC Name2-(furan-2-yloxy)naphthalene-1,4-dione
SMILESO=C1C=C(Oc2ccco2)C(=O)c2ccccc21
InChIInChI=1S/C14H8O4/c15-11-8-12(18-13-6-3-7-17-13)14(16)10-5-2-1-4-9(10)11/h1-8H
InChIKeyDZJKAFXNPOZNDG-UHFFFAOYSA-N
XLogP2.62
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.21
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yloxy)naphthalene-1,4-dione?
The IUPAC name of 2-(furan-2-yloxy)naphthalene-1,4-dione (CID 164615147) is 2-(furan-2-yloxy)naphthalene-1,4-dione.
What is the SMILES notation for 2-(furan-2-yloxy)naphthalene-1,4-dione?
The canonical SMILES for 2-(furan-2-yloxy)naphthalene-1,4-dione is O=C1C=C(Oc2ccco2)C(=O)c2ccccc21.
What is the InChIKey of 2-(furan-2-yloxy)naphthalene-1,4-dione?
The InChIKey is DZJKAFXNPOZNDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8O4/c15-11-8-12(18-13-6-3-7-17-13)14(16)10-5-2-1-4-9(10)11/h1-8H.
What are the key properties of 2-(furan-2-yloxy)naphthalene-1,4-dione?
2-(furan-2-yloxy)naphthalene-1,4-dione has a molecular weight of 240.21 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yloxy)naphthalene-1,4-dione is sourced from PubChem (CID 164615147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).