2-tert-butyl-5,6-dimethoxy-3-methylbenzene-1,4-diol

C13H20O4 — CID 59583902

IUPAC2-tert-butyl-5,6-dimethoxy-3-methylbenzene-1,4-diol
SMILESCOc1c(O)c(C)c(C(C)(C)C)c(O)c1OC
InChIInChI=1S/C13H20O4/c1-7-8(13(2,3)4)10(15)12(17-6)11(16-5)9(7)14/h14-15H,1-6H3
InChIKeyZAZCVOCVPMDREX-UHFFFAOYSA-N
MW240.30 g/mol
LogP2.72
Rot. Bonds2

About 2-tert-butyl-5,6-dimethoxy-3-methylbenzene-1,4-diol

2-tert-butyl-5,6-dimethoxy-3-methylbenzene-1,4-diol (PubChem CID 59583902) has the molecular formula C13H20O4 and a molecular weight of 240.30 g/mol. Its IUPAC name is 2-tert-butyl-5,6-dimethoxy-3-methylbenzene-1,4-diol.

Molecular Properties

Compound Name2-tert-butyl-5,6-dimethoxy-3-methylbenzene-1,4-diol
PubChem CID59583902
Molecular FormulaC13H20O4
Molecular Weight240.30 g/mol
Exact Mass240.14
IUPAC Name2-tert-butyl-5,6-dimethoxy-3-methylbenzene-1,4-diol
SMILESCOc1c(O)c(C)c(C(C)(C)C)c(O)c1OC
InChIInChI=1S/C13H20O4/c1-7-8(13(2,3)4)10(15)12(17-6)11(16-5)9(7)14/h14-15H,1-6H3
InChIKeyZAZCVOCVPMDREX-UHFFFAOYSA-N
XLogP2.72
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-tert-butyl-5,6-dimethoxy-3-methylbenzene-1,4-diol?
The IUPAC name of 2-tert-butyl-5,6-dimethoxy-3-methylbenzene-1,4-diol (CID 59583902) is 2-tert-butyl-5,6-dimethoxy-3-methylbenzene-1,4-diol.
What is the SMILES notation for 2-tert-butyl-5,6-dimethoxy-3-methylbenzene-1,4-diol?
The canonical SMILES for 2-tert-butyl-5,6-dimethoxy-3-methylbenzene-1,4-diol is COc1c(O)c(C)c(C(C)(C)C)c(O)c1OC.
What is the InChIKey of 2-tert-butyl-5,6-dimethoxy-3-methylbenzene-1,4-diol?
The InChIKey is ZAZCVOCVPMDREX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O4/c1-7-8(13(2,3)4)10(15)12(17-6)11(16-5)9(7)14/h14-15H,1-6H3.
What are the key properties of 2-tert-butyl-5,6-dimethoxy-3-methylbenzene-1,4-diol?
2-tert-butyl-5,6-dimethoxy-3-methylbenzene-1,4-diol has a molecular weight of 240.30 g/mol, XLogP of 2.72, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5,6-dimethoxy-3-methylbenzene-1,4-diol is sourced from PubChem (CID 59583902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).