2-bromo-6-(cyclopentylmethyl)-4-fluorophenol

C12H14BrFO — CID 70915460

IUPAC2-bromo-6-(cyclopentylmethyl)-4-fluorophenol
SMILESOc1c(Br)cc(F)cc1CC1CCCC1
InChIInChI=1S/C12H14BrFO/c13-11-7-10(14)6-9(12(11)15)5-8-3-1-2-4-8/h6-8,15H,1-5H2
InChIKeyMLUNZUWYJPEZLU-UHFFFAOYSA-N
MW273.14 g/mol
LogP4.03
Rot. Bonds2

About 2-bromo-6-(cyclopentylmethyl)-4-fluorophenol

2-bromo-6-(cyclopentylmethyl)-4-fluorophenol (PubChem CID 70915460) has the molecular formula C12H14BrFO and a molecular weight of 273.14 g/mol. Its IUPAC name is 2-bromo-6-(cyclopentylmethyl)-4-fluorophenol.

Molecular Properties

Compound Name2-bromo-6-(cyclopentylmethyl)-4-fluorophenol
PubChem CID70915460
Molecular FormulaC12H14BrFO
Molecular Weight273.14 g/mol
Exact Mass272.02
IUPAC Name2-bromo-6-(cyclopentylmethyl)-4-fluorophenol
SMILESOc1c(Br)cc(F)cc1CC1CCCC1
InChIInChI=1S/C12H14BrFO/c13-11-7-10(14)6-9(12(11)15)5-8-3-1-2-4-8/h6-8,15H,1-5H2
InChIKeyMLUNZUWYJPEZLU-UHFFFAOYSA-N
XLogP4.03
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.14
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-(cyclopentylmethyl)-4-fluorophenol?
The IUPAC name of 2-bromo-6-(cyclopentylmethyl)-4-fluorophenol (CID 70915460) is 2-bromo-6-(cyclopentylmethyl)-4-fluorophenol.
What is the SMILES notation for 2-bromo-6-(cyclopentylmethyl)-4-fluorophenol?
The canonical SMILES for 2-bromo-6-(cyclopentylmethyl)-4-fluorophenol is Oc1c(Br)cc(F)cc1CC1CCCC1.
What is the InChIKey of 2-bromo-6-(cyclopentylmethyl)-4-fluorophenol?
The InChIKey is MLUNZUWYJPEZLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrFO/c13-11-7-10(14)6-9(12(11)15)5-8-3-1-2-4-8/h6-8,15H,1-5H2.
What are the key properties of 2-bromo-6-(cyclopentylmethyl)-4-fluorophenol?
2-bromo-6-(cyclopentylmethyl)-4-fluorophenol has a molecular weight of 273.14 g/mol, XLogP of 4.03, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-(cyclopentylmethyl)-4-fluorophenol is sourced from PubChem (CID 70915460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).