2,4-dibromo-6-tert-butylphenol

C10H12Br2O — CID 719757

IUPAC2,4-dibromo-6-tert-butylphenol
SMILESCC(C)(C)c1cc(Br)cc(Br)c1O
InChIInChI=1S/C10H12Br2O/c1-10(2,3)7-4-6(11)5-8(12)9(7)13/h4-5,13H,1-3H3
InChIKeyKSURDFVRHGKTAA-UHFFFAOYSA-N
MW308.01 g/mol
LogP4.21
Rot. Bonds

About 2,4-dibromo-6-tert-butylphenol

2,4-dibromo-6-tert-butylphenol (PubChem CID 719757) has the molecular formula C10H12Br2O and a molecular weight of 308.01 g/mol. Its IUPAC name is 2,4-dibromo-6-tert-butylphenol.

Molecular Properties

Compound Name2,4-dibromo-6-tert-butylphenol
PubChem CID719757
Molecular FormulaC10H12Br2O
Molecular Weight308.01 g/mol
Exact Mass305.93
IUPAC Name2,4-dibromo-6-tert-butylphenol
SMILESCC(C)(C)c1cc(Br)cc(Br)c1O
InChIInChI=1S/C10H12Br2O/c1-10(2,3)7-4-6(11)5-8(12)9(7)13/h4-5,13H,1-3H3
InChIKeyKSURDFVRHGKTAA-UHFFFAOYSA-N
XLogP4.21
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.01
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-6-tert-butylphenol?
The IUPAC name of 2,4-dibromo-6-tert-butylphenol (CID 719757) is 2,4-dibromo-6-tert-butylphenol.
What is the SMILES notation for 2,4-dibromo-6-tert-butylphenol?
The canonical SMILES for 2,4-dibromo-6-tert-butylphenol is CC(C)(C)c1cc(Br)cc(Br)c1O.
What is the InChIKey of 2,4-dibromo-6-tert-butylphenol?
The InChIKey is KSURDFVRHGKTAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Br2O/c1-10(2,3)7-4-6(11)5-8(12)9(7)13/h4-5,13H,1-3H3.
What are the key properties of 2,4-dibromo-6-tert-butylphenol?
2,4-dibromo-6-tert-butylphenol has a molecular weight of 308.01 g/mol, XLogP of 4.21, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-6-tert-butylphenol is sourced from PubChem (CID 719757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).