2-(5-bromo-2-fluorophenyl)-1-(5-methyloxolan-3-yl)ethanol

C13H16BrFO2 — CID 115784886

IUPAC2-(5-bromo-2-fluorophenyl)-1-(5-methyloxolan-3-yl)ethanol
SMILESCC1CC(C(O)Cc2cc(Br)ccc2F)CO1
InChIInChI=1S/C13H16BrFO2/c1-8-4-10(7-17-8)13(16)6-9-5-11(14)2-3-12(9)15/h2-3,5,8,10,13,16H,4,6-7H2,1H3
InChIKeyCEIQBJKRPFUTPZ-UHFFFAOYSA-N
MW303.17 g/mol
LogP2.92
Rot. Bonds3

About 2-(5-bromo-2-fluorophenyl)-1-(5-methyloxolan-3-yl)ethanol

2-(5-bromo-2-fluorophenyl)-1-(5-methyloxolan-3-yl)ethanol (PubChem CID 115784886) has the molecular formula C13H16BrFO2 and a molecular weight of 303.17 g/mol. Its IUPAC name is 2-(5-bromo-2-fluorophenyl)-1-(5-methyloxolan-3-yl)ethanol.

Molecular Properties

Compound Name2-(5-bromo-2-fluorophenyl)-1-(5-methyloxolan-3-yl)ethanol
PubChem CID115784886
Molecular FormulaC13H16BrFO2
Molecular Weight303.17 g/mol
Exact Mass302.03
IUPAC Name2-(5-bromo-2-fluorophenyl)-1-(5-methyloxolan-3-yl)ethanol
SMILESCC1CC(C(O)Cc2cc(Br)ccc2F)CO1
InChIInChI=1S/C13H16BrFO2/c1-8-4-10(7-17-8)13(16)6-9-5-11(14)2-3-12(9)15/h2-3,5,8,10,13,16H,4,6-7H2,1H3
InChIKeyCEIQBJKRPFUTPZ-UHFFFAOYSA-N
XLogP2.92
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.17
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-bromo-2-fluorophenyl)-(5-methyloxolan-3-yl)methanol
CID 115820673
2-(3,4-difluorophenyl)-1-(5-methyloxolan-3-yl)ethanol
CID 114822937
2-(5-bromo-2-fluorophenyl)-1-cyclohex-3-en-1-ylethanol
CID 65149611
2-(2-bromo-3-fluorophenyl)-1-(5-methyloxolan-3-yl)ethanamine
CID 105020731
(3-bromo-4-fluorophenyl)-(5-methyloxolan-3-yl)methanol
CID 114826764
2-(3-bromo-4-fluorophenyl)-1-(5-methyloxolan-3-yl)ethanamine
CID 115819109
2-(3-bromo-4-methoxyphenyl)-1-(5-methyloxolan-3-yl)ethanol
CID 115779418
2-(4-bromo-2-fluorophenyl)-1-(2-methylcyclopropyl)ethanol
CID 65422333
1-(5-methyloxolan-3-yl)propan-1-ol
CID 115787725
1-(5-bromo-2-fluorophenyl)-3-methylbutan-2-ol
CID 62608389
2-(5-bromo-2-methoxyphenyl)-N-methyl-1-(5-methyloxolan-3-yl)ethanamine
CID 115817658
2-(2,6-difluorophenyl)-1-(5-methyloxolan-3-yl)ethanamine
CID 114825914

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-fluorophenyl)-1-(5-methyloxolan-3-yl)ethanol?
The IUPAC name of 2-(5-bromo-2-fluorophenyl)-1-(5-methyloxolan-3-yl)ethanol (CID 115784886) is 2-(5-bromo-2-fluorophenyl)-1-(5-methyloxolan-3-yl)ethanol.
What is the SMILES notation for 2-(5-bromo-2-fluorophenyl)-1-(5-methyloxolan-3-yl)ethanol?
The canonical SMILES for 2-(5-bromo-2-fluorophenyl)-1-(5-methyloxolan-3-yl)ethanol is CC1CC(C(O)Cc2cc(Br)ccc2F)CO1.
What is the InChIKey of 2-(5-bromo-2-fluorophenyl)-1-(5-methyloxolan-3-yl)ethanol?
The InChIKey is CEIQBJKRPFUTPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrFO2/c1-8-4-10(7-17-8)13(16)6-9-5-11(14)2-3-12(9)15/h2-3,5,8,10,13,16H,4,6-7H2,1H3.
What are the key properties of 2-(5-bromo-2-fluorophenyl)-1-(5-methyloxolan-3-yl)ethanol?
2-(5-bromo-2-fluorophenyl)-1-(5-methyloxolan-3-yl)ethanol has a molecular weight of 303.17 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-fluorophenyl)-1-(5-methyloxolan-3-yl)ethanol is sourced from PubChem (CID 115784886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).