2,6-dibromo-4-(2-phenylpropan-2-yl)phenol

C15H14Br2O — CID 18949356

IUPAC2,6-dibromo-4-(2-phenylpropan-2-yl)phenol
SMILESCC(C)(c1ccccc1)c1cc(Br)c(O)c(Br)c1
InChIInChI=1S/C15H14Br2O/c1-15(2,10-6-4-3-5-7-10)11-8-12(16)14(18)13(17)9-11/h3-9,18H,1-2H3
InChIKeyHAFXISJYRQZXLU-UHFFFAOYSA-N
MW370.08 g/mol
LogP5.24
Rot. Bonds2

About 2,6-dibromo-4-(2-phenylpropan-2-yl)phenol

2,6-dibromo-4-(2-phenylpropan-2-yl)phenol (PubChem CID 18949356) has the molecular formula C15H14Br2O and a molecular weight of 370.08 g/mol. Its IUPAC name is 2,6-dibromo-4-(2-phenylpropan-2-yl)phenol.

Molecular Properties

Compound Name2,6-dibromo-4-(2-phenylpropan-2-yl)phenol
PubChem CID18949356
Molecular FormulaC15H14Br2O
Molecular Weight370.08 g/mol
Exact Mass367.94
IUPAC Name2,6-dibromo-4-(2-phenylpropan-2-yl)phenol
SMILESCC(C)(c1ccccc1)c1cc(Br)c(O)c(Br)c1
InChIInChI=1S/C15H14Br2O/c1-15(2,10-6-4-3-5-7-10)11-8-12(16)14(18)13(17)9-11/h3-9,18H,1-2H3
InChIKeyHAFXISJYRQZXLU-UHFFFAOYSA-N
XLogP5.24
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.08
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Tetrabromobisphenol A
CID 6618
Tribromobisphenol A
CID 80801
p-Cresol, 2,6-dibromo-
CID 17078
2,2'-Dihydroxy-3,3',5,5'-tetrabromobiphenyl
CID 30891
4,4-Bis(3,5-dibromo-4-hydroxyphenyl)valeric acid
CID 228569
2,6-Dibromo-4-phenylphenol
CID 243556
2-Bromo-4-phenylphenol
CID 27297
4,4',6-Tribromo-2,2'-Biphenol
CID 50899959
2-Bromo-4-tert-butylphenol
CID 75147
4-Bromo-4'-hydroxybiphenyl
CID 95093
2-Bromo-4,6-di-tert-butylphenol
CID 519822
2,2'-Methylenebis[4,6-dibromophenol]
CID 93833

Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-4-(2-phenylpropan-2-yl)phenol?
The IUPAC name of 2,6-dibromo-4-(2-phenylpropan-2-yl)phenol (CID 18949356) is 2,6-dibromo-4-(2-phenylpropan-2-yl)phenol.
What is the SMILES notation for 2,6-dibromo-4-(2-phenylpropan-2-yl)phenol?
The canonical SMILES for 2,6-dibromo-4-(2-phenylpropan-2-yl)phenol is CC(C)(c1ccccc1)c1cc(Br)c(O)c(Br)c1.
What is the InChIKey of 2,6-dibromo-4-(2-phenylpropan-2-yl)phenol?
The InChIKey is HAFXISJYRQZXLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Br2O/c1-15(2,10-6-4-3-5-7-10)11-8-12(16)14(18)13(17)9-11/h3-9,18H,1-2H3.
What are the key properties of 2,6-dibromo-4-(2-phenylpropan-2-yl)phenol?
2,6-dibromo-4-(2-phenylpropan-2-yl)phenol has a molecular weight of 370.08 g/mol, XLogP of 5.24, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-4-(2-phenylpropan-2-yl)phenol is sourced from PubChem (CID 18949356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).