1-[2-(4-bromo-3-fluorophenoxy)phenyl]ethanol

C14H12BrFO2 — CID 65201173

IUPAC1-[2-(4-bromo-3-fluorophenoxy)phenyl]ethanol
SMILESCC(O)c1ccccc1Oc1ccc(Br)c(F)c1
InChIInChI=1S/C14H12BrFO2/c1-9(17)11-4-2-3-5-14(11)18-10-6-7-12(15)13(16)8-10/h2-9,17H,1H3
InChIKeyRTKZGBCFWDTTML-UHFFFAOYSA-N
MW311.15 g/mol
LogP4.43
Rot. Bonds3

About 1-[2-(4-bromo-3-fluorophenoxy)phenyl]ethanol

1-[2-(4-bromo-3-fluorophenoxy)phenyl]ethanol (PubChem CID 65201173) has the molecular formula C14H12BrFO2 and a molecular weight of 311.15 g/mol. Its IUPAC name is 1-[2-(4-bromo-3-fluorophenoxy)phenyl]ethanol.

Molecular Properties

Compound Name1-[2-(4-bromo-3-fluorophenoxy)phenyl]ethanol
PubChem CID65201173
Molecular FormulaC14H12BrFO2
Molecular Weight311.15 g/mol
Exact Mass310.00
IUPAC Name1-[2-(4-bromo-3-fluorophenoxy)phenyl]ethanol
SMILESCC(O)c1ccccc1Oc1ccc(Br)c(F)c1
InChIInChI=1S/C14H12BrFO2/c1-9(17)11-4-2-3-5-14(11)18-10-6-7-12(15)13(16)8-10/h2-9,17H,1H3
InChIKeyRTKZGBCFWDTTML-UHFFFAOYSA-N
XLogP4.43
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.15
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-bromo-2-(4-bromo-3-fluorophenoxy)phenyl]ethanol
CID 82971113
(1S)-1-[2-(4-bromo-3-methylphenoxy)-5-fluorophenyl]ethanol
CID 83141129
1-[2-(3,4-dichlorophenoxy)phenyl]ethanol
CID 54898383
1-[2-(4-bromo-3-methylphenoxy)-5-fluoro-4-methylphenyl]ethanol
CID 83140559
(1S)-1-[2-(3-propan-2-ylphenoxy)phenyl]ethanol
CID 63372506
(1S)-1-[2-(3-iodophenoxy)phenyl]ethanol
CID 78941728
1-[2-(2,4-dibromophenoxy)phenyl]ethanol
CID 64720452
(1R)-1-[2-(3-iodophenoxy)phenyl]ethanol
CID 55183774
(1R)-1-[2-(2,4-dibromophenoxy)phenyl]ethanol
CID 78999180
(1R)-1-[2-(2,3-dihydro-1H-inden-5-yloxy)phenyl]ethanol
CID 55183055
1-[4-bromo-2-(4-chloro-3-fluorophenoxy)phenyl]ethanol
CID 82971254
1-[2-(4-tert-butylphenoxy)phenyl]ethanol
CID 43510250

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-bromo-3-fluorophenoxy)phenyl]ethanol?
The IUPAC name of 1-[2-(4-bromo-3-fluorophenoxy)phenyl]ethanol (CID 65201173) is 1-[2-(4-bromo-3-fluorophenoxy)phenyl]ethanol.
What is the SMILES notation for 1-[2-(4-bromo-3-fluorophenoxy)phenyl]ethanol?
The canonical SMILES for 1-[2-(4-bromo-3-fluorophenoxy)phenyl]ethanol is CC(O)c1ccccc1Oc1ccc(Br)c(F)c1.
What is the InChIKey of 1-[2-(4-bromo-3-fluorophenoxy)phenyl]ethanol?
The InChIKey is RTKZGBCFWDTTML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrFO2/c1-9(17)11-4-2-3-5-14(11)18-10-6-7-12(15)13(16)8-10/h2-9,17H,1H3.
What are the key properties of 1-[2-(4-bromo-3-fluorophenoxy)phenyl]ethanol?
1-[2-(4-bromo-3-fluorophenoxy)phenyl]ethanol has a molecular weight of 311.15 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-bromo-3-fluorophenoxy)phenyl]ethanol is sourced from PubChem (CID 65201173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).