2-ethylnaphthalene-1,4-diol

C12H12O2 — CID 13077288

IUPAC2-ethylnaphthalene-1,4-diol
SMILESCCc1cc(O)c2ccccc2c1O
InChIInChI=1S/C12H12O2/c1-2-8-7-11(13)9-5-3-4-6-10(9)12(8)14/h3-7,13-14H,2H2,1H3
InChIKeyLYIJEYBEBVILKC-UHFFFAOYSA-N
MW188.23 g/mol
LogP2.81
Rot. Bonds1

About 2-ethylnaphthalene-1,4-diol

2-ethylnaphthalene-1,4-diol (PubChem CID 13077288) has the molecular formula C12H12O2 and a molecular weight of 188.23 g/mol. Its IUPAC name is 2-ethylnaphthalene-1,4-diol.

Molecular Properties

Compound Name2-ethylnaphthalene-1,4-diol
PubChem CID13077288
Molecular FormulaC12H12O2
Molecular Weight188.23 g/mol
Exact Mass188.08
IUPAC Name2-ethylnaphthalene-1,4-diol
SMILESCCc1cc(O)c2ccccc2c1O
InChIInChI=1S/C12H12O2/c1-2-8-7-11(13)9-5-3-4-6-10(9)12(8)14/h3-7,13-14H,2H2,1H3
InChIKeyLYIJEYBEBVILKC-UHFFFAOYSA-N
XLogP2.81
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 52.81
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 2-ethylnaphthalene-1,4-diol?
The IUPAC name of 2-ethylnaphthalene-1,4-diol (CID 13077288) is 2-ethylnaphthalene-1,4-diol.
What is the SMILES notation for 2-ethylnaphthalene-1,4-diol?
The canonical SMILES for 2-ethylnaphthalene-1,4-diol is CCc1cc(O)c2ccccc2c1O.
What is the InChIKey of 2-ethylnaphthalene-1,4-diol?
The InChIKey is LYIJEYBEBVILKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O2/c1-2-8-7-11(13)9-5-3-4-6-10(9)12(8)14/h3-7,13-14H,2H2,1H3.
What are the key properties of 2-ethylnaphthalene-1,4-diol?
2-ethylnaphthalene-1,4-diol has a molecular weight of 188.23 g/mol, XLogP of 2.81, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylnaphthalene-1,4-diol is sourced from PubChem (CID 13077288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).