2-bromo-3-methyl-6-propan-2-ylphenol

C10H13BrO — CID 13067772

IUPAC2-bromo-3-methyl-6-propan-2-ylphenol
SMILESCc1ccc(C(C)C)c(O)c1Br
InChIInChI=1S/C10H13BrO/c1-6(2)8-5-4-7(3)9(11)10(8)12/h4-6,12H,1-3H3
InChIKeyUZVUSORDFOESJG-UHFFFAOYSA-N
MW229.12 g/mol
LogP3.59
Rot. Bonds1

About 2-bromo-3-methyl-6-propan-2-ylphenol

2-bromo-3-methyl-6-propan-2-ylphenol (PubChem CID 13067772) has the molecular formula C10H13BrO and a molecular weight of 229.12 g/mol. Its IUPAC name is 2-bromo-3-methyl-6-propan-2-ylphenol.

Molecular Properties

Compound Name2-bromo-3-methyl-6-propan-2-ylphenol
PubChem CID13067772
Molecular FormulaC10H13BrO
Molecular Weight229.12 g/mol
Exact Mass228.01
IUPAC Name2-bromo-3-methyl-6-propan-2-ylphenol
SMILESCc1ccc(C(C)C)c(O)c1Br
InChIInChI=1S/C10H13BrO/c1-6(2)8-5-4-7(3)9(11)10(8)12/h4-6,12H,1-3H3
InChIKeyUZVUSORDFOESJG-UHFFFAOYSA-N
XLogP3.59
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.12
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-methyl-6-propan-2-ylphenol?
The IUPAC name of 2-bromo-3-methyl-6-propan-2-ylphenol (CID 13067772) is 2-bromo-3-methyl-6-propan-2-ylphenol.
What is the SMILES notation for 2-bromo-3-methyl-6-propan-2-ylphenol?
The canonical SMILES for 2-bromo-3-methyl-6-propan-2-ylphenol is Cc1ccc(C(C)C)c(O)c1Br.
What is the InChIKey of 2-bromo-3-methyl-6-propan-2-ylphenol?
The InChIKey is UZVUSORDFOESJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrO/c1-6(2)8-5-4-7(3)9(11)10(8)12/h4-6,12H,1-3H3.
What are the key properties of 2-bromo-3-methyl-6-propan-2-ylphenol?
2-bromo-3-methyl-6-propan-2-ylphenol has a molecular weight of 229.12 g/mol, XLogP of 3.59, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-methyl-6-propan-2-ylphenol is sourced from PubChem (CID 13067772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).