2,6-dimethylnaphthalene-1,4-diol

C12H12O2 — CID 121008161

IUPAC2,6-dimethylnaphthalene-1,4-diol
SMILESCc1ccc2c(O)c(C)cc(O)c2c1
InChIInChI=1S/C12H12O2/c1-7-3-4-9-10(5-7)11(13)6-8(2)12(9)14/h3-6,13-14H,1-2H3
InChIKeyFJUKNFHPNLGNOQ-UHFFFAOYSA-N
MW188.23 g/mol
LogP2.87
Rot. Bonds

About 2,6-dimethylnaphthalene-1,4-diol

2,6-dimethylnaphthalene-1,4-diol (PubChem CID 121008161) has the molecular formula C12H12O2 and a molecular weight of 188.23 g/mol. Its IUPAC name is 2,6-dimethylnaphthalene-1,4-diol.

Molecular Properties

Compound Name2,6-dimethylnaphthalene-1,4-diol
PubChem CID121008161
Molecular FormulaC12H12O2
Molecular Weight188.23 g/mol
Exact Mass188.08
IUPAC Name2,6-dimethylnaphthalene-1,4-diol
SMILESCc1ccc2c(O)c(C)cc(O)c2c1
InChIInChI=1S/C12H12O2/c1-7-3-4-9-10(5-7)11(13)6-8(2)12(9)14/h3-6,13-14H,1-2H3
InChIKeyFJUKNFHPNLGNOQ-UHFFFAOYSA-N
XLogP2.87
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 52.87
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 2,6-dimethylnaphthalene-1,4-diol?
The IUPAC name of 2,6-dimethylnaphthalene-1,4-diol (CID 121008161) is 2,6-dimethylnaphthalene-1,4-diol.
What is the SMILES notation for 2,6-dimethylnaphthalene-1,4-diol?
The canonical SMILES for 2,6-dimethylnaphthalene-1,4-diol is Cc1ccc2c(O)c(C)cc(O)c2c1.
What is the InChIKey of 2,6-dimethylnaphthalene-1,4-diol?
The InChIKey is FJUKNFHPNLGNOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O2/c1-7-3-4-9-10(5-7)11(13)6-8(2)12(9)14/h3-6,13-14H,1-2H3.
What are the key properties of 2,6-dimethylnaphthalene-1,4-diol?
2,6-dimethylnaphthalene-1,4-diol has a molecular weight of 188.23 g/mol, XLogP of 2.87, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethylnaphthalene-1,4-diol is sourced from PubChem (CID 121008161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).