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

C14H12BrFO2 — CID 82971322

IUPAC1-[4-bromo-2-(4-fluorophenoxy)phenyl]ethanol
SMILESCC(O)c1ccc(Br)cc1Oc1ccc(F)cc1
InChIInChI=1S/C14H12BrFO2/c1-9(17)13-7-2-10(15)8-14(13)18-12-5-3-11(16)4-6-12/h2-9,17H,1H3
InChIKeyNUKQUHZLYWCHBQ-UHFFFAOYSA-N
MW311.15 g/mol
LogP4.43
Rot. Bonds3

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

1-[4-bromo-2-(4-fluorophenoxy)phenyl]ethanol (PubChem CID 82971322) has the molecular formula C14H12BrFO2 and a molecular weight of 311.15 g/mol. Its IUPAC name is 1-[4-bromo-2-(4-fluorophenoxy)phenyl]ethanol.

Molecular Properties

Compound Name1-[4-bromo-2-(4-fluorophenoxy)phenyl]ethanol
PubChem CID82971322
Molecular FormulaC14H12BrFO2
Molecular Weight311.15 g/mol
Exact Mass310.00
IUPAC Name1-[4-bromo-2-(4-fluorophenoxy)phenyl]ethanol
SMILESCC(O)c1ccc(Br)cc1Oc1ccc(F)cc1
InChIInChI=1S/C14H12BrFO2/c1-9(17)13-7-2-10(15)8-14(13)18-12-5-3-11(16)4-6-12/h2-9,17H,1H3
InChIKeyNUKQUHZLYWCHBQ-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
1-[4-bromo-2-(4-chloro-3-fluorophenoxy)phenyl]ethanol
CID 82971254
1-[4-bromo-2-(2-chloro-4-fluorophenoxy)phenyl]ethanol
CID 82970825
1-[4-bromo-2-(2-bromophenoxy)phenyl]ethanol
CID 82971318
1-[4-bromo-2-(2,3-dihydro-1H-inden-5-yloxy)phenyl]ethanol
CID 82970896
1-[4-bromo-2-[(5-chloro-3-pyridinyl)oxy]phenyl]ethanol
CID 82970681
4-bromo-1-(bromomethyl)-2-(4-fluorophenoxy)benzene
CID 107087063
1-[4-bromo-2-(4-fluorophenoxy)phenyl]ethanone
CID 82966600
(1R)-1-(4-bromo-2-ethoxyphenyl)ethanol
CID 102948595
1-[5-bromo-2-(4-tert-butylphenoxy)phenyl]ethanol
CID 82957796
(1S)-1-[2-(5-bromo-2-chlorophenoxy)-5-fluorophenyl]ethanol
CID 78955958
1-[2-bromo-4-(4-bromophenoxy)phenyl]ethanol
CID 114069916

Frequently Asked Questions

What is the IUPAC name of 1-[4-bromo-2-(4-fluorophenoxy)phenyl]ethanol?
The IUPAC name of 1-[4-bromo-2-(4-fluorophenoxy)phenyl]ethanol (CID 82971322) is 1-[4-bromo-2-(4-fluorophenoxy)phenyl]ethanol.
What is the SMILES notation for 1-[4-bromo-2-(4-fluorophenoxy)phenyl]ethanol?
The canonical SMILES for 1-[4-bromo-2-(4-fluorophenoxy)phenyl]ethanol is CC(O)c1ccc(Br)cc1Oc1ccc(F)cc1.
What is the InChIKey of 1-[4-bromo-2-(4-fluorophenoxy)phenyl]ethanol?
The InChIKey is NUKQUHZLYWCHBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrFO2/c1-9(17)13-7-2-10(15)8-14(13)18-12-5-3-11(16)4-6-12/h2-9,17H,1H3.
What are the key properties of 1-[4-bromo-2-(4-fluorophenoxy)phenyl]ethanol?
1-[4-bromo-2-(4-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-[4-bromo-2-(4-fluorophenoxy)phenyl]ethanol is sourced from PubChem (CID 82971322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).