naphthalene-1,4-diol

C10H8O2 — CID 11305

IUPACnaphthalene-1,4-diol
SMILESOc1ccc(O)c2ccccc12
InChIInChI=1S/C10H8O2/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6,11-12H
InChIKeyPCILLCXFKWDRMK-UHFFFAOYSA-N
MW160.17 g/mol
LogP2.25
Rot. Bonds

About naphthalene-1,4-diol

naphthalene-1,4-diol (PubChem CID 11305) has the molecular formula C10H8O2 and a molecular weight of 160.17 g/mol. Its IUPAC name is naphthalene-1,4-diol.

Molecular Properties

Compound Namenaphthalene-1,4-diol
PubChem CID11305
Molecular FormulaC10H8O2
Molecular Weight160.17 g/mol
Exact Mass160.05
IUPAC Namenaphthalene-1,4-diol
SMILESOc1ccc(O)c2ccccc12
InChIInChI=1S/C10H8O2/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6,11-12H
InChIKeyPCILLCXFKWDRMK-UHFFFAOYSA-N
XLogP2.25
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of naphthalene-1,4-diol?
The IUPAC name of naphthalene-1,4-diol (CID 11305) is naphthalene-1,4-diol.
What is the SMILES notation for naphthalene-1,4-diol?
The canonical SMILES for naphthalene-1,4-diol is Oc1ccc(O)c2ccccc12.
What is the InChIKey of naphthalene-1,4-diol?
The InChIKey is PCILLCXFKWDRMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O2/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6,11-12H.
What are the key properties of naphthalene-1,4-diol?
naphthalene-1,4-diol has a molecular weight of 160.17 g/mol, XLogP of 2.25, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalene-1,4-diol is sourced from PubChem (CID 11305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).