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

C12H14BrFO2 — CID 65148287

IUPAC1-(5-bromo-2-fluorophenyl)-2-(oxolan-2-yl)ethanol
SMILESOC(CC1CCCO1)c1cc(Br)ccc1F
InChIInChI=1S/C12H14BrFO2/c13-8-3-4-11(14)10(6-8)12(15)7-9-2-1-5-16-9/h3-4,6,9,12,15H,1-2,5,7H2
InChIKeyJEDJTTNPGXFGSS-UHFFFAOYSA-N
MW289.14 g/mol
LogP3.19
Rot. Bonds3

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

1-(5-bromo-2-fluorophenyl)-2-(oxolan-2-yl)ethanol (PubChem CID 65148287) has the molecular formula C12H14BrFO2 and a molecular weight of 289.14 g/mol. Its IUPAC name is 1-(5-bromo-2-fluorophenyl)-2-(oxolan-2-yl)ethanol.

Molecular Properties

Compound Name1-(5-bromo-2-fluorophenyl)-2-(oxolan-2-yl)ethanol
PubChem CID65148287
Molecular FormulaC12H14BrFO2
Molecular Weight289.14 g/mol
Exact Mass288.02
IUPAC Name1-(5-bromo-2-fluorophenyl)-2-(oxolan-2-yl)ethanol
SMILESOC(CC1CCCO1)c1cc(Br)ccc1F
InChIInChI=1S/C12H14BrFO2/c13-8-3-4-11(14)10(6-8)12(15)7-9-2-1-5-16-9/h3-4,6,9,12,15H,1-2,5,7H2
InChIKeyJEDJTTNPGXFGSS-UHFFFAOYSA-N
XLogP3.19
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 ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-2-ethoxyphenyl)-2-(oxolan-2-yl)ethanol
CID 65157940
1-(4-fluoronaphthalen-1-yl)-2-(oxolan-2-yl)ethanol
CID 65157648
1-(5-fluoro-2-methylphenyl)-2-(oxolan-2-yl)ethanol
CID 62608272
1-(5-bromo-4-fluoro-2-methoxyphenyl)-2-(oxolan-2-yl)ethanol
CID 103396051
1-(3-fluoro-4-pyridinyl)-2-(oxolan-2-yl)ethanol
CID 104737979
1-(2,5-dichlorophenyl)-2-(oxan-2-yl)ethanol
CID 113391319
1-(5-bromo-2-chlorophenyl)-3-(oxolan-2-yl)propan-1-ol
CID 115809368
1-(2,5-difluorophenyl)-2-[methyl(oxolan-2-ylmethyl)amino]ethanol
CID 110898634
1-(5-bromo-2-fluorophenyl)-2-chloroethanol
CID 83001576
1-(4-bromophenyl)-3-(oxolan-2-yl)propan-2-ol
CID 60798546
1-(2,4-difluorophenyl)-3-(oxolan-2-yl)propan-1-ol
CID 65160611
2-[3-bromo-3-(2,5-difluorophenyl)propyl]oxolane
CID 65158065

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-fluorophenyl)-2-(oxolan-2-yl)ethanol?
The IUPAC name of 1-(5-bromo-2-fluorophenyl)-2-(oxolan-2-yl)ethanol (CID 65148287) is 1-(5-bromo-2-fluorophenyl)-2-(oxolan-2-yl)ethanol.
What is the SMILES notation for 1-(5-bromo-2-fluorophenyl)-2-(oxolan-2-yl)ethanol?
The canonical SMILES for 1-(5-bromo-2-fluorophenyl)-2-(oxolan-2-yl)ethanol is OC(CC1CCCO1)c1cc(Br)ccc1F.
What is the InChIKey of 1-(5-bromo-2-fluorophenyl)-2-(oxolan-2-yl)ethanol?
The InChIKey is JEDJTTNPGXFGSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrFO2/c13-8-3-4-11(14)10(6-8)12(15)7-9-2-1-5-16-9/h3-4,6,9,12,15H,1-2,5,7H2.
What are the key properties of 1-(5-bromo-2-fluorophenyl)-2-(oxolan-2-yl)ethanol?
1-(5-bromo-2-fluorophenyl)-2-(oxolan-2-yl)ethanol has a molecular weight of 289.14 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-fluorophenyl)-2-(oxolan-2-yl)ethanol is sourced from PubChem (CID 65148287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).