2-(2-bromo-5-fluorophenyl)-1-(oxolan-2-yl)ethanol

C12H14BrFO2 — CID 65331133

IUPAC2-(2-bromo-5-fluorophenyl)-1-(oxolan-2-yl)ethanol
SMILESOC(Cc1cc(F)ccc1Br)C1CCCO1
InChIInChI=1S/C12H14BrFO2/c13-10-4-3-9(14)6-8(10)7-11(15)12-2-1-5-16-12/h3-4,6,11-12,15H,1-2,5,7H2
InChIKeyQXVWXSGKAWSWSK-UHFFFAOYSA-N
MW289.14 g/mol
LogP2.67
Rot. Bonds3

About 2-(2-bromo-5-fluorophenyl)-1-(oxolan-2-yl)ethanol

2-(2-bromo-5-fluorophenyl)-1-(oxolan-2-yl)ethanol (PubChem CID 65331133) has the molecular formula C12H14BrFO2 and a molecular weight of 289.14 g/mol. Its IUPAC name is 2-(2-bromo-5-fluorophenyl)-1-(oxolan-2-yl)ethanol.

Molecular Properties

Compound Name2-(2-bromo-5-fluorophenyl)-1-(oxolan-2-yl)ethanol
PubChem CID65331133
Molecular FormulaC12H14BrFO2
Molecular Weight289.14 g/mol
Exact Mass288.02
IUPAC Name2-(2-bromo-5-fluorophenyl)-1-(oxolan-2-yl)ethanol
SMILESOC(Cc1cc(F)ccc1Br)C1CCCO1
InChIInChI=1S/C12H14BrFO2/c13-10-4-3-9(14)6-8(10)7-11(15)12-2-1-5-16-12/h3-4,6,11-12,15H,1-2,5,7H2
InChIKeyQXVWXSGKAWSWSK-UHFFFAOYSA-N
XLogP2.67
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 ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromothiophen-3-yl)-1-(oxolan-2-yl)ethanol
CID 130921302
2-(2-bromo-3-fluorophenyl)-1-(oxan-2-yl)ethanol
CID 115826491
2-(2-bromo-5-fluorophenyl)-1-(4,4-difluorocyclohexyl)ethanol
CID 105088370
2-(2-fluorophenyl)-1-(oxan-2-yl)ethanol
CID 114977828
2-(3,5-difluorophenyl)-1-(oxan-2-yl)ethanol
CID 105412847
1-(2-bromo-5-fluorophenyl)-N-methyl-4-(oxolan-2-yl)butan-2-amine
CID 115843578
2-(2-bromo-4-fluorophenyl)-1-(4-methylmorpholin-2-yl)ethanol
CID 79086890
1-(2-bromo-5-fluorophenyl)-3-(4-fluorophenyl)propan-2-ol
CID 62608381
1-(oxolan-2-yl)-2-phenylethanol
CID 65331018
2-(2,6-dichlorophenyl)-1-(oxolan-2-yl)ethanol
CID 65331137
2-(2-bromo-5-fluorophenyl)-1-(2-methyloxan-2-yl)ethanol
CID 80684366
1-(2-bromo-5-fluorophenyl)-4-methylpentan-2-ol
CID 62606118

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-fluorophenyl)-1-(oxolan-2-yl)ethanol?
The IUPAC name of 2-(2-bromo-5-fluorophenyl)-1-(oxolan-2-yl)ethanol (CID 65331133) is 2-(2-bromo-5-fluorophenyl)-1-(oxolan-2-yl)ethanol.
What is the SMILES notation for 2-(2-bromo-5-fluorophenyl)-1-(oxolan-2-yl)ethanol?
The canonical SMILES for 2-(2-bromo-5-fluorophenyl)-1-(oxolan-2-yl)ethanol is OC(Cc1cc(F)ccc1Br)C1CCCO1.
What is the InChIKey of 2-(2-bromo-5-fluorophenyl)-1-(oxolan-2-yl)ethanol?
The InChIKey is QXVWXSGKAWSWSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrFO2/c13-10-4-3-9(14)6-8(10)7-11(15)12-2-1-5-16-12/h3-4,6,11-12,15H,1-2,5,7H2.
What are the key properties of 2-(2-bromo-5-fluorophenyl)-1-(oxolan-2-yl)ethanol?
2-(2-bromo-5-fluorophenyl)-1-(oxolan-2-yl)ethanol has a molecular weight of 289.14 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-fluorophenyl)-1-(oxolan-2-yl)ethanol is sourced from PubChem (CID 65331133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).