2-bromo-4-cyclobutylphenol

C10H11BrO — CID 162421229

IUPAC2-bromo-4-cyclobutylphenol
SMILESOc1ccc(C2CCC2)cc1Br
InChIInChI=1S/C10H11BrO/c11-9-6-8(4-5-10(9)12)7-2-1-3-7/h4-7,12H,1-3H2
InChIKeyNUDWCSQFMMTGCS-UHFFFAOYSA-N
MW227.10 g/mol
LogP3.42
Rot. Bonds1

About 2-bromo-4-cyclobutylphenol

2-bromo-4-cyclobutylphenol (PubChem CID 162421229) has the molecular formula C10H11BrO and a molecular weight of 227.10 g/mol. Its IUPAC name is 2-bromo-4-cyclobutylphenol.

Molecular Properties

Compound Name2-bromo-4-cyclobutylphenol
PubChem CID162421229
Molecular FormulaC10H11BrO
Molecular Weight227.10 g/mol
Exact Mass226.00
IUPAC Name2-bromo-4-cyclobutylphenol
SMILESOc1ccc(C2CCC2)cc1Br
InChIInChI=1S/C10H11BrO/c11-9-6-8(4-5-10(9)12)7-2-1-3-7/h4-7,12H,1-3H2
InChIKeyNUDWCSQFMMTGCS-UHFFFAOYSA-N
XLogP3.42
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.10
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-cyclobutylphenol?
The IUPAC name of 2-bromo-4-cyclobutylphenol (CID 162421229) is 2-bromo-4-cyclobutylphenol.
What is the SMILES notation for 2-bromo-4-cyclobutylphenol?
The canonical SMILES for 2-bromo-4-cyclobutylphenol is Oc1ccc(C2CCC2)cc1Br.
What is the InChIKey of 2-bromo-4-cyclobutylphenol?
The InChIKey is NUDWCSQFMMTGCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrO/c11-9-6-8(4-5-10(9)12)7-2-1-3-7/h4-7,12H,1-3H2.
What are the key properties of 2-bromo-4-cyclobutylphenol?
2-bromo-4-cyclobutylphenol has a molecular weight of 227.10 g/mol, XLogP of 3.42, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-cyclobutylphenol is sourced from PubChem (CID 162421229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).