2-bromo-4-tert-butyl-5-iodophenol

C10H12BrIO — CID 166610557

IUPAC2-bromo-4-tert-butyl-5-iodophenol
SMILESCC(C)(C)c1cc(Br)c(O)cc1I
InChIInChI=1S/C10H12BrIO/c1-10(2,3)6-4-7(11)9(13)5-8(6)12/h4-5,13H,1-3H3
InChIKeyUSTLTNVJWJVXTR-UHFFFAOYSA-N
MW355.01 g/mol
LogP4.06
Rot. Bonds

About 2-bromo-4-tert-butyl-5-iodophenol

2-bromo-4-tert-butyl-5-iodophenol (PubChem CID 166610557) has the molecular formula C10H12BrIO and a molecular weight of 355.01 g/mol. Its IUPAC name is 2-bromo-4-tert-butyl-5-iodophenol.

Molecular Properties

Compound Name2-bromo-4-tert-butyl-5-iodophenol
PubChem CID166610557
Molecular FormulaC10H12BrIO
Molecular Weight355.01 g/mol
Exact Mass353.91
IUPAC Name2-bromo-4-tert-butyl-5-iodophenol
SMILESCC(C)(C)c1cc(Br)c(O)cc1I
InChIInChI=1S/C10H12BrIO/c1-10(2,3)6-4-7(11)9(13)5-8(6)12/h4-5,13H,1-3H3
InChIKeyUSTLTNVJWJVXTR-UHFFFAOYSA-N
XLogP4.06
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.01
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-bromo-4-tert-butyl-5-fluorophenol
CID 69407920
2-bromo-4-(1-hydroxy-2-methylpropan-2-yl)-5-methylphenol
CID 117400999
2-bromo-4-(3-bromo-5-tert-butyl-4-hydroxyphenyl)-6-tert-butylphenol
CID 2129750
2-bromo-4-tert-butylnaphthalen-1-ol
CID 166610565
6-bromo-4-tert-butyl-3-chloro-2-fluorophenol
CID 169256345
2,5-diiodobenzene-1,4-diol
CID 18504287
CID 158661910
CID 158661910
4-bromo-6-tert-butylbenzene-1,3-diamine
CID 143986594
2-tert-butyl-1-iodo-4-methylbenzene
CID 146355198
1-bromo-5-tert-butyl-2,4-difluorobenzene
CID 153434868
2-bromo-5-(trifluoromethyl)benzene-1,4-diol
CID 84708932
1,3-dibromo-5-tert-butyl-2-iodobenzene
CID 44891190

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-tert-butyl-5-iodophenol?
The IUPAC name of 2-bromo-4-tert-butyl-5-iodophenol (CID 166610557) is 2-bromo-4-tert-butyl-5-iodophenol.
What is the SMILES notation for 2-bromo-4-tert-butyl-5-iodophenol?
The canonical SMILES for 2-bromo-4-tert-butyl-5-iodophenol is CC(C)(C)c1cc(Br)c(O)cc1I.
What is the InChIKey of 2-bromo-4-tert-butyl-5-iodophenol?
The InChIKey is USTLTNVJWJVXTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrIO/c1-10(2,3)6-4-7(11)9(13)5-8(6)12/h4-5,13H,1-3H3.
What are the key properties of 2-bromo-4-tert-butyl-5-iodophenol?
2-bromo-4-tert-butyl-5-iodophenol has a molecular weight of 355.01 g/mol, XLogP of 4.06, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-tert-butyl-5-iodophenol is sourced from PubChem (CID 166610557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).