3-bromo-5-tert-butyl-2-chlorobenzene-1,4-diol

C10H12BrClO2 — CID 24974540

IUPAC3-bromo-5-tert-butyl-2-chlorobenzene-1,4-diol
SMILESCC(C)(C)c1cc(O)c(Cl)c(Br)c1O
InChIInChI=1S/C10H12BrClO2/c1-10(2,3)5-4-6(13)8(12)7(11)9(5)14/h4,13-14H,1-3H3
InChIKeyUAENLKBXWADALC-UHFFFAOYSA-N
MW279.56 g/mol
LogP3.81
Rot. Bonds

About 3-bromo-5-tert-butyl-2-chlorobenzene-1,4-diol

3-bromo-5-tert-butyl-2-chlorobenzene-1,4-diol (PubChem CID 24974540) has the molecular formula C10H12BrClO2 and a molecular weight of 279.56 g/mol. Its IUPAC name is 3-bromo-5-tert-butyl-2-chlorobenzene-1,4-diol.

Molecular Properties

Compound Name3-bromo-5-tert-butyl-2-chlorobenzene-1,4-diol
PubChem CID24974540
Molecular FormulaC10H12BrClO2
Molecular Weight279.56 g/mol
Exact Mass277.97
IUPAC Name3-bromo-5-tert-butyl-2-chlorobenzene-1,4-diol
SMILESCC(C)(C)c1cc(O)c(Cl)c(Br)c1O
InChIInChI=1S/C10H12BrClO2/c1-10(2,3)5-4-6(13)8(12)7(11)9(5)14/h4,13-14H,1-3H3
InChIKeyUAENLKBXWADALC-UHFFFAOYSA-N
XLogP3.81
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.56
LogP ≤ 53.81
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 3-bromo-5-tert-butyl-2-chlorobenzene-1,4-diol?
The IUPAC name of 3-bromo-5-tert-butyl-2-chlorobenzene-1,4-diol (CID 24974540) is 3-bromo-5-tert-butyl-2-chlorobenzene-1,4-diol.
What is the SMILES notation for 3-bromo-5-tert-butyl-2-chlorobenzene-1,4-diol?
The canonical SMILES for 3-bromo-5-tert-butyl-2-chlorobenzene-1,4-diol is CC(C)(C)c1cc(O)c(Cl)c(Br)c1O.
What is the InChIKey of 3-bromo-5-tert-butyl-2-chlorobenzene-1,4-diol?
The InChIKey is UAENLKBXWADALC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrClO2/c1-10(2,3)5-4-6(13)8(12)7(11)9(5)14/h4,13-14H,1-3H3.
What are the key properties of 3-bromo-5-tert-butyl-2-chlorobenzene-1,4-diol?
3-bromo-5-tert-butyl-2-chlorobenzene-1,4-diol has a molecular weight of 279.56 g/mol, XLogP of 3.81, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-tert-butyl-2-chlorobenzene-1,4-diol is sourced from PubChem (CID 24974540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).