4-tert-butyl-6-methylbenzene-1,2,3,5-tetrol

C11H16O4 — CID 158882357

IUPAC4-tert-butyl-6-methylbenzene-1,2,3,5-tetrol
SMILESCc1c(O)c(O)c(O)c(C(C)(C)C)c1O
InChIInChI=1S/C11H16O4/c1-5-7(12)6(11(2,3)4)9(14)10(15)8(5)13/h12-15H,1-4H3
InChIKeyLIRCEVZUIRJZSS-UHFFFAOYSA-N
MW212.24 g/mol
LogP2.11
Rot. Bonds

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

4-tert-butyl-6-methylbenzene-1,2,3,5-tetrol (PubChem CID 158882357) has the molecular formula C11H16O4 and a molecular weight of 212.24 g/mol. Its IUPAC name is 4-tert-butyl-6-methylbenzene-1,2,3,5-tetrol.

Molecular Properties

Compound Name4-tert-butyl-6-methylbenzene-1,2,3,5-tetrol
PubChem CID158882357
Molecular FormulaC11H16O4
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Name4-tert-butyl-6-methylbenzene-1,2,3,5-tetrol
SMILESCc1c(O)c(O)c(O)c(C(C)(C)C)c1O
InChIInChI=1S/C11H16O4/c1-5-7(12)6(11(2,3)4)9(14)10(15)8(5)13/h12-15H,1-4H3
InChIKeyLIRCEVZUIRJZSS-UHFFFAOYSA-N
XLogP2.11
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 52.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-6-methylbenzene-1,2,3,5-tetrol?
The IUPAC name of 4-tert-butyl-6-methylbenzene-1,2,3,5-tetrol (CID 158882357) is 4-tert-butyl-6-methylbenzene-1,2,3,5-tetrol.
What is the SMILES notation for 4-tert-butyl-6-methylbenzene-1,2,3,5-tetrol?
The canonical SMILES for 4-tert-butyl-6-methylbenzene-1,2,3,5-tetrol is Cc1c(O)c(O)c(O)c(C(C)(C)C)c1O.
What is the InChIKey of 4-tert-butyl-6-methylbenzene-1,2,3,5-tetrol?
The InChIKey is LIRCEVZUIRJZSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O4/c1-5-7(12)6(11(2,3)4)9(14)10(15)8(5)13/h12-15H,1-4H3.
What are the key properties of 4-tert-butyl-6-methylbenzene-1,2,3,5-tetrol?
4-tert-butyl-6-methylbenzene-1,2,3,5-tetrol has a molecular weight of 212.24 g/mol, XLogP of 2.11, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-6-methylbenzene-1,2,3,5-tetrol is sourced from PubChem (CID 158882357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).