4-bromo-2-cyclopentylphenol

C11H13BrO — CID 23090734

IUPAC4-bromo-2-cyclopentylphenol
SMILESOc1ccc(Br)cc1C1CCCC1
InChIInChI=1S/C11H13BrO/c12-9-5-6-11(13)10(7-9)8-3-1-2-4-8/h5-8,13H,1-4H2
InChIKeyYGZKWLBOQPTKLJ-UHFFFAOYSA-N
MW241.13 g/mol
LogP3.81
Rot. Bonds1

About 4-bromo-2-cyclopentylphenol

4-bromo-2-cyclopentylphenol (PubChem CID 23090734) has the molecular formula C11H13BrO and a molecular weight of 241.13 g/mol. Its IUPAC name is 4-bromo-2-cyclopentylphenol.

Molecular Properties

Compound Name4-bromo-2-cyclopentylphenol
PubChem CID23090734
Molecular FormulaC11H13BrO
Molecular Weight241.13 g/mol
Exact Mass240.01
IUPAC Name4-bromo-2-cyclopentylphenol
SMILESOc1ccc(Br)cc1C1CCCC1
InChIInChI=1S/C11H13BrO/c12-9-5-6-11(13)10(7-9)8-3-1-2-4-8/h5-8,13H,1-4H2
InChIKeyYGZKWLBOQPTKLJ-UHFFFAOYSA-N
XLogP3.81
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.13
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-cyclopentylphenol?
The IUPAC name of 4-bromo-2-cyclopentylphenol (CID 23090734) is 4-bromo-2-cyclopentylphenol.
What is the SMILES notation for 4-bromo-2-cyclopentylphenol?
The canonical SMILES for 4-bromo-2-cyclopentylphenol is Oc1ccc(Br)cc1C1CCCC1.
What is the InChIKey of 4-bromo-2-cyclopentylphenol?
The InChIKey is YGZKWLBOQPTKLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrO/c12-9-5-6-11(13)10(7-9)8-3-1-2-4-8/h5-8,13H,1-4H2.
What are the key properties of 4-bromo-2-cyclopentylphenol?
4-bromo-2-cyclopentylphenol has a molecular weight of 241.13 g/mol, XLogP of 3.81, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-cyclopentylphenol is sourced from PubChem (CID 23090734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).