6-bromo-2-(2-fluoroethyl)-3-(oxolan-2-yl)phenol

C12H14BrFO2 — CID 151762817

IUPAC6-bromo-2-(2-fluoroethyl)-3-(oxolan-2-yl)phenol
SMILESOc1c(Br)ccc(C2CCCO2)c1CCF
InChIInChI=1S/C12H14BrFO2/c13-10-4-3-8(11-2-1-7-16-11)9(5-6-14)12(10)15/h3-4,11,15H,1-2,5-7H2
InChIKeyRQXQOCWCUXMARE-UHFFFAOYSA-N
MW289.14 g/mol
LogP3.52
Rot. Bonds3

About 6-bromo-2-(2-fluoroethyl)-3-(oxolan-2-yl)phenol

6-bromo-2-(2-fluoroethyl)-3-(oxolan-2-yl)phenol (PubChem CID 151762817) has the molecular formula C12H14BrFO2 and a molecular weight of 289.14 g/mol. Its IUPAC name is 6-bromo-2-(2-fluoroethyl)-3-(oxolan-2-yl)phenol.

Molecular Properties

Compound Name6-bromo-2-(2-fluoroethyl)-3-(oxolan-2-yl)phenol
PubChem CID151762817
Molecular FormulaC12H14BrFO2
Molecular Weight289.14 g/mol
Exact Mass288.02
IUPAC Name6-bromo-2-(2-fluoroethyl)-3-(oxolan-2-yl)phenol
SMILESOc1c(Br)ccc(C2CCCO2)c1CCF
InChIInChI=1S/C12H14BrFO2/c13-10-4-3-8(11-2-1-7-16-11)9(5-6-14)12(10)15/h3-4,11,15H,1-2,5-7H2
InChIKeyRQXQOCWCUXMARE-UHFFFAOYSA-N
XLogP3.52
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.14
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(2-fluoroethyl)-3-(oxolan-2-yl)phenol?
The IUPAC name of 6-bromo-2-(2-fluoroethyl)-3-(oxolan-2-yl)phenol (CID 151762817) is 6-bromo-2-(2-fluoroethyl)-3-(oxolan-2-yl)phenol.
What is the SMILES notation for 6-bromo-2-(2-fluoroethyl)-3-(oxolan-2-yl)phenol?
The canonical SMILES for 6-bromo-2-(2-fluoroethyl)-3-(oxolan-2-yl)phenol is Oc1c(Br)ccc(C2CCCO2)c1CCF.
What is the InChIKey of 6-bromo-2-(2-fluoroethyl)-3-(oxolan-2-yl)phenol?
The InChIKey is RQXQOCWCUXMARE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrFO2/c13-10-4-3-8(11-2-1-7-16-11)9(5-6-14)12(10)15/h3-4,11,15H,1-2,5-7H2.
What are the key properties of 6-bromo-2-(2-fluoroethyl)-3-(oxolan-2-yl)phenol?
6-bromo-2-(2-fluoroethyl)-3-(oxolan-2-yl)phenol has a molecular weight of 289.14 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(2-fluoroethyl)-3-(oxolan-2-yl)phenol is sourced from PubChem (CID 151762817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).