2,5-ditert-butylbenzene-1,4-diol

C14H22O2 — CID 2374

IUPAC2,5-ditert-butylbenzene-1,4-diol
SMILESCC(C)(C)c1cc(O)c(C(C)(C)C)cc1O
InChIInChI=1S/C14H22O2/c1-13(2,3)9-7-12(16)10(8-11(9)15)14(4,5)6/h7-8,15-16H,1-6H3
InChIKeyJZODKRWQWUWGCD-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.69
Rot. Bonds

About 2,5-ditert-butylbenzene-1,4-diol

2,5-ditert-butylbenzene-1,4-diol (PubChem CID 2374) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 2,5-ditert-butylbenzene-1,4-diol.

Molecular Properties

Compound Name2,5-ditert-butylbenzene-1,4-diol
PubChem CID2374
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name2,5-ditert-butylbenzene-1,4-diol
SMILESCC(C)(C)c1cc(O)c(C(C)(C)C)cc1O
InChIInChI=1S/C14H22O2/c1-13(2,3)9-7-12(16)10(8-11(9)15)14(4,5)6/h7-8,15-16H,1-6H3
InChIKeyJZODKRWQWUWGCD-UHFFFAOYSA-N
XLogP3.69
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.69
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 2,5-ditert-butylbenzene-1,4-diol?
The IUPAC name of 2,5-ditert-butylbenzene-1,4-diol (CID 2374) is 2,5-ditert-butylbenzene-1,4-diol.
What is the SMILES notation for 2,5-ditert-butylbenzene-1,4-diol?
The canonical SMILES for 2,5-ditert-butylbenzene-1,4-diol is CC(C)(C)c1cc(O)c(C(C)(C)C)cc1O.
What is the InChIKey of 2,5-ditert-butylbenzene-1,4-diol?
The InChIKey is JZODKRWQWUWGCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-13(2,3)9-7-12(16)10(8-11(9)15)14(4,5)6/h7-8,15-16H,1-6H3.
What are the key properties of 2,5-ditert-butylbenzene-1,4-diol?
2,5-ditert-butylbenzene-1,4-diol has a molecular weight of 222.33 g/mol, XLogP of 3.69, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-ditert-butylbenzene-1,4-diol is sourced from PubChem (CID 2374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).