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

C14H11BrClFO2 — CID 82971254

IUPAC1-[4-bromo-2-(4-chloro-3-fluorophenoxy)phenyl]ethanol
SMILESCC(O)c1ccc(Br)cc1Oc1ccc(Cl)c(F)c1
InChIInChI=1S/C14H11BrClFO2/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
InChIKeyAWACDUYPCABCNH-UHFFFAOYSA-N
MW345.60 g/mol
LogP5.09
Rot. Bonds3

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

1-[4-bromo-2-(4-chloro-3-fluorophenoxy)phenyl]ethanol (PubChem CID 82971254) has the molecular formula C14H11BrClFO2 and a molecular weight of 345.60 g/mol. Its IUPAC name is 1-[4-bromo-2-(4-chloro-3-fluorophenoxy)phenyl]ethanol.

Molecular Properties

Compound Name1-[4-bromo-2-(4-chloro-3-fluorophenoxy)phenyl]ethanol
PubChem CID82971254
Molecular FormulaC14H11BrClFO2
Molecular Weight345.60 g/mol
Exact Mass343.96
IUPAC Name1-[4-bromo-2-(4-chloro-3-fluorophenoxy)phenyl]ethanol
SMILESCC(O)c1ccc(Br)cc1Oc1ccc(Cl)c(F)c1
InChIInChI=1S/C14H11BrClFO2/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
InChIKeyAWACDUYPCABCNH-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

Analyze 1-[4-bromo-2-(4-chloro-3-fluorophenoxy)phenyl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-bromo-2-(4-bromo-3-fluorophenoxy)phenyl]ethanol
CID 82971113
1-[4-bromo-2-(4-fluorophenoxy)phenyl]ethanol
CID 82971322
1-[4-bromo-2-(2-chloro-4-fluorophenoxy)phenyl]ethanol
CID 82970825
1-[3-bromo-4-(4-chloro-3-fluorophenoxy)phenyl]ethanol
CID 82716734
1-[4-bromo-2-[(5-chloro-3-pyridinyl)oxy]phenyl]ethanol
CID 82970681
1-[5-bromo-2-(4-chloro-3-methylphenoxy)phenyl]ethanol
CID 82970379
1-[4-bromo-2-(4-bromo-2,5-dichlorophenoxy)phenyl]ethanol
CID 107659061
4-bromo-2-(4-chloro-3-fluorophenoxy)benzenecarbothioamide
CID 114903785
1-[4-bromo-2-(2,3-dihydro-1H-inden-5-yloxy)phenyl]ethanol
CID 82970896
(1S)-1-[2-(5-bromo-2-chlorophenoxy)-5-fluorophenyl]ethanol
CID 78955958
1-[5-bromo-2-(5-bromo-2-chlorophenoxy)phenyl]ethanol
CID 82970318
1-[2-(4-bromo-3-fluorophenoxy)phenyl]ethanol
CID 65201173

Frequently Asked Questions

What is the IUPAC name of 1-[4-bromo-2-(4-chloro-3-fluorophenoxy)phenyl]ethanol?
The IUPAC name of 1-[4-bromo-2-(4-chloro-3-fluorophenoxy)phenyl]ethanol (CID 82971254) is 1-[4-bromo-2-(4-chloro-3-fluorophenoxy)phenyl]ethanol.
What is the SMILES notation for 1-[4-bromo-2-(4-chloro-3-fluorophenoxy)phenyl]ethanol?
The canonical SMILES for 1-[4-bromo-2-(4-chloro-3-fluorophenoxy)phenyl]ethanol is CC(O)c1ccc(Br)cc1Oc1ccc(Cl)c(F)c1.
What is the InChIKey of 1-[4-bromo-2-(4-chloro-3-fluorophenoxy)phenyl]ethanol?
The InChIKey is AWACDUYPCABCNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClFO2/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-chloro-3-fluorophenoxy)phenyl]ethanol?
1-[4-bromo-2-(4-chloro-3-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-[4-bromo-2-(4-chloro-3-fluorophenoxy)phenyl]ethanol is sourced from PubChem (CID 82971254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).