1,4-dimethylnaphthalene-1,4-diol

C12H14O2 — CID 14120481

IUPAC1,4-dimethylnaphthalene-1,4-diol
SMILESCC1(O)C=CC(C)(O)c2ccccc21
InChIInChI=1S/C12H14O2/c1-11(13)7-8-12(2,14)10-6-4-3-5-9(10)11/h3-8,13-14H,1-2H3
InChIKeyKDVFQJNUMUXAAG-UHFFFAOYSA-N
MW190.24 g/mol
LogP1.67
Rot. Bonds

About 1,4-dimethylnaphthalene-1,4-diol

1,4-dimethylnaphthalene-1,4-diol (PubChem CID 14120481) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is 1,4-dimethylnaphthalene-1,4-diol.

Molecular Properties

Compound Name1,4-dimethylnaphthalene-1,4-diol
PubChem CID14120481
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name1,4-dimethylnaphthalene-1,4-diol
SMILESCC1(O)C=CC(C)(O)c2ccccc21
InChIInChI=1S/C12H14O2/c1-11(13)7-8-12(2,14)10-6-4-3-5-9(10)11/h3-8,13-14H,1-2H3
InChIKeyKDVFQJNUMUXAAG-UHFFFAOYSA-N
XLogP1.67
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethylnaphthalene-1,4-diol?
The IUPAC name of 1,4-dimethylnaphthalene-1,4-diol (CID 14120481) is 1,4-dimethylnaphthalene-1,4-diol.
What is the SMILES notation for 1,4-dimethylnaphthalene-1,4-diol?
The canonical SMILES for 1,4-dimethylnaphthalene-1,4-diol is CC1(O)C=CC(C)(O)c2ccccc21.
What is the InChIKey of 1,4-dimethylnaphthalene-1,4-diol?
The InChIKey is KDVFQJNUMUXAAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2/c1-11(13)7-8-12(2,14)10-6-4-3-5-9(10)11/h3-8,13-14H,1-2H3.
What are the key properties of 1,4-dimethylnaphthalene-1,4-diol?
1,4-dimethylnaphthalene-1,4-diol has a molecular weight of 190.24 g/mol, XLogP of 1.67, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethylnaphthalene-1,4-diol is sourced from PubChem (CID 14120481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).