1-[5-bromo-2-(2-chloro-4-fluorophenoxy)phenyl]ethanol

C14H11BrClFO2 — CID 82970752

IUPAC1-[5-bromo-2-(2-chloro-4-fluorophenoxy)phenyl]ethanol
SMILESCC(O)c1cc(Br)ccc1Oc1ccc(F)cc1Cl
InChIInChI=1S/C14H11BrClFO2/c1-8(18)11-6-9(15)2-4-13(11)19-14-5-3-10(17)7-12(14)16/h2-8,18H,1H3
InChIKeyBRVQVLBYUNRQOB-UHFFFAOYSA-N
MW345.60 g/mol
LogP5.09
Rot. Bonds3

About 1-[5-bromo-2-(2-chloro-4-fluorophenoxy)phenyl]ethanol

1-[5-bromo-2-(2-chloro-4-fluorophenoxy)phenyl]ethanol (PubChem CID 82970752) has the molecular formula C14H11BrClFO2 and a molecular weight of 345.60 g/mol. Its IUPAC name is 1-[5-bromo-2-(2-chloro-4-fluorophenoxy)phenyl]ethanol.

Molecular Properties

Compound Name1-[5-bromo-2-(2-chloro-4-fluorophenoxy)phenyl]ethanol
PubChem CID82970752
Molecular FormulaC14H11BrClFO2
Molecular Weight345.60 g/mol
Exact Mass343.96
IUPAC Name1-[5-bromo-2-(2-chloro-4-fluorophenoxy)phenyl]ethanol
SMILESCC(O)c1cc(Br)ccc1Oc1ccc(F)cc1Cl
InChIInChI=1S/C14H11BrClFO2/c1-8(18)11-6-9(15)2-4-13(11)19-14-5-3-10(17)7-12(14)16/h2-8,18H,1H3
InChIKeyBRVQVLBYUNRQOB-UHFFFAOYSA-N
XLogP5.09
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.60
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-bromo-2-(2-chloro-4-fluorophenoxy)phenyl]ethanol
CID 82970825
(1S)-1-[2-(2-chloro-4-fluorophenoxy)-5-fluorophenyl]ethanol
CID 55184876
(1S)-1-[2-(5-bromo-2-chlorophenoxy)-5-fluorophenyl]ethanol
CID 78955958
(1R)-1-[2-(2-chloro-4-methylphenoxy)-5-fluorophenyl]ethanol
CID 63374690
1-[2-(4-bromo-2-methylphenoxy)-5-fluorophenyl]ethanol
CID 63540649
(1R)-1-[2-(2-chloro-4-fluorophenoxy)phenyl]ethanol
CID 78941796
(1R)-1-[2-(2,4-dichlorophenoxy)-5-fluorophenyl]ethanol
CID 63372482
1-[5-bromo-2-(5-bromo-2-chlorophenoxy)phenyl]ethanol
CID 82970318
1-[5-bromo-2-(2,5-dichlorophenoxy)phenyl]ethanol
CID 82970963
1-[5-bromo-2-[(2-chloro-5-fluorophenyl)methoxy]phenyl]ethanol
CID 102616484
1-[2-(3-chloro-2-fluorophenoxy)-5-fluorophenyl]ethanol
CID 116689382
(1S)-1-[2-(2,5-dichlorophenoxy)-5-fluorophenyl]ethanol
CID 55183586

Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-2-(2-chloro-4-fluorophenoxy)phenyl]ethanol?
The IUPAC name of 1-[5-bromo-2-(2-chloro-4-fluorophenoxy)phenyl]ethanol (CID 82970752) is 1-[5-bromo-2-(2-chloro-4-fluorophenoxy)phenyl]ethanol.
What is the SMILES notation for 1-[5-bromo-2-(2-chloro-4-fluorophenoxy)phenyl]ethanol?
The canonical SMILES for 1-[5-bromo-2-(2-chloro-4-fluorophenoxy)phenyl]ethanol is CC(O)c1cc(Br)ccc1Oc1ccc(F)cc1Cl.
What is the InChIKey of 1-[5-bromo-2-(2-chloro-4-fluorophenoxy)phenyl]ethanol?
The InChIKey is BRVQVLBYUNRQOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClFO2/c1-8(18)11-6-9(15)2-4-13(11)19-14-5-3-10(17)7-12(14)16/h2-8,18H,1H3.
What are the key properties of 1-[5-bromo-2-(2-chloro-4-fluorophenoxy)phenyl]ethanol?
1-[5-bromo-2-(2-chloro-4-fluorophenoxy)phenyl]ethanol has a molecular weight of 345.60 g/mol, XLogP of 5.09, 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-(2-chloro-4-fluorophenoxy)phenyl]ethanol is sourced from PubChem (CID 82970752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).