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

C14H11Br2FO2 — CID 82971113

IUPAC1-[4-bromo-2-(4-bromo-3-fluorophenoxy)phenyl]ethanol
SMILESCC(O)c1ccc(Br)cc1Oc1ccc(Br)c(F)c1
InChIInChI=1S/C14H11Br2FO2/c1-8(18)11-4-2-9(15)6-14(11)19-10-3-5-12(16)13(17)7-10/h2-8,18H,1H3
InChIKeyGJPZIBNONKGAGU-UHFFFAOYSA-N
MW390.05 g/mol
LogP5.20
Rot. Bonds3

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

1-[4-bromo-2-(4-bromo-3-fluorophenoxy)phenyl]ethanol (PubChem CID 82971113) has the molecular formula C14H11Br2FO2 and a molecular weight of 390.05 g/mol. Its IUPAC name is 1-[4-bromo-2-(4-bromo-3-fluorophenoxy)phenyl]ethanol.

Molecular Properties

Compound Name1-[4-bromo-2-(4-bromo-3-fluorophenoxy)phenyl]ethanol
PubChem CID82971113
Molecular FormulaC14H11Br2FO2
Molecular Weight390.05 g/mol
Exact Mass387.91
IUPAC Name1-[4-bromo-2-(4-bromo-3-fluorophenoxy)phenyl]ethanol
SMILESCC(O)c1ccc(Br)cc1Oc1ccc(Br)c(F)c1
InChIInChI=1S/C14H11Br2FO2/c1-8(18)11-4-2-9(15)6-14(11)19-10-3-5-12(16)13(17)7-10/h2-8,18H,1H3
InChIKeyGJPZIBNONKGAGU-UHFFFAOYSA-N
XLogP5.20
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.05
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-bromo-2-(4-chloro-3-fluorophenoxy)phenyl]ethanol
CID 82971254
1-[2-(4-bromo-3-fluorophenoxy)phenyl]ethanol
CID 65201173
1-[4-bromo-2-(4-fluorophenoxy)phenyl]ethanol
CID 82971322
1-[4-bromo-2-(2,3-dihydro-1H-inden-5-yloxy)phenyl]ethanol
CID 82970896
1-[2-(4-bromo-3-methylphenoxy)-5-fluoro-4-methylphenyl]ethanol
CID 83140559
1-[4-bromo-2-(2-bromophenoxy)phenyl]ethanol
CID 82971318
1-[4-bromo-2-(2-chloro-4-fluorophenoxy)phenyl]ethanol
CID 82970825
1-[4-bromo-2-[(5-chloro-3-pyridinyl)oxy]phenyl]ethanol
CID 82970681
(1S)-1-[2-(3-bromo-4-fluorophenoxy)-5-fluoro-4-methylphenyl]ethanol
CID 83234967
1-[2-bromo-4-(4-bromophenoxy)phenyl]ethanol
CID 114069916
1-[4-bromo-2-(4-bromo-2,5-dichlorophenoxy)phenyl]ethanol
CID 107659061
(1S)-1-[4-[(5-bromo-2-fluorophenyl)methoxy]-2-fluorophenyl]ethanol
CID 107720483

Frequently Asked Questions

What is the IUPAC name of 1-[4-bromo-2-(4-bromo-3-fluorophenoxy)phenyl]ethanol?
The IUPAC name of 1-[4-bromo-2-(4-bromo-3-fluorophenoxy)phenyl]ethanol (CID 82971113) is 1-[4-bromo-2-(4-bromo-3-fluorophenoxy)phenyl]ethanol.
What is the SMILES notation for 1-[4-bromo-2-(4-bromo-3-fluorophenoxy)phenyl]ethanol?
The canonical SMILES for 1-[4-bromo-2-(4-bromo-3-fluorophenoxy)phenyl]ethanol is CC(O)c1ccc(Br)cc1Oc1ccc(Br)c(F)c1.
What is the InChIKey of 1-[4-bromo-2-(4-bromo-3-fluorophenoxy)phenyl]ethanol?
The InChIKey is GJPZIBNONKGAGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Br2FO2/c1-8(18)11-4-2-9(15)6-14(11)19-10-3-5-12(16)13(17)7-10/h2-8,18H,1H3.
What are the key properties of 1-[4-bromo-2-(4-bromo-3-fluorophenoxy)phenyl]ethanol?
1-[4-bromo-2-(4-bromo-3-fluorophenoxy)phenyl]ethanol has a molecular weight of 390.05 g/mol, XLogP of 5.20, 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-bromo-3-fluorophenoxy)phenyl]ethanol is sourced from PubChem (CID 82971113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).