(1S)-1-[2-(4-bromo-2,5-dichlorophenoxy)-6-fluorophenyl]ethanol

C14H10BrCl2FO2 — CID 107659074

IUPAC(1S)-1-[2-(4-bromo-2,5-dichlorophenoxy)-6-fluorophenyl]ethanol
SMILESC[C@H](O)c1c(F)cccc1Oc1cc(Cl)c(Br)cc1Cl
InChIInChI=1S/C14H10BrCl2FO2/c1-7(19)14-11(18)3-2-4-12(14)20-13-6-9(16)8(15)5-10(13)17/h2-7,19H,1H3/t7-/m0/s1
InChIKeyYJFBKWUDFVRAIV-ZETCQYMHSA-N
MW380.04 g/mol
LogP5.74
Rot. Bonds3

About (1S)-1-[2-(4-bromo-2,5-dichlorophenoxy)-6-fluorophenyl]ethanol

(1S)-1-[2-(4-bromo-2,5-dichlorophenoxy)-6-fluorophenyl]ethanol (PubChem CID 107659074) has the molecular formula C14H10BrCl2FO2 and a molecular weight of 380.04 g/mol. Its IUPAC name is (1S)-1-[2-(4-bromo-2,5-dichlorophenoxy)-6-fluorophenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[2-(4-bromo-2,5-dichlorophenoxy)-6-fluorophenyl]ethanol
PubChem CID107659074
Molecular FormulaC14H10BrCl2FO2
Molecular Weight380.04 g/mol
Exact Mass377.92
IUPAC Name(1S)-1-[2-(4-bromo-2,5-dichlorophenoxy)-6-fluorophenyl]ethanol
SMILESC[C@H](O)c1c(F)cccc1Oc1cc(Cl)c(Br)cc1Cl
InChIInChI=1S/C14H10BrCl2FO2/c1-7(19)14-11(18)3-2-4-12(14)20-13-6-9(16)8(15)5-10(13)17/h2-7,19H,1H3/t7-/m0/s1
InChIKeyYJFBKWUDFVRAIV-ZETCQYMHSA-N
XLogP5.74
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.04
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

(1R)-1-[2-(4-bromo-2,5-dichlorophenoxy)-6-fluorophenyl]ethanol
CID 107659058
(1R)-1-[2-fluoro-6-(2,4,5-trichlorophenoxy)phenyl]ethanol
CID 63540335
1-[2-(2-bromo-4-chlorophenoxy)-6-fluorophenyl]ethanol
CID 43506537
(1S)-1-[2-(2,3-dichlorophenoxy)-6-fluorophenyl]ethanol
CID 55185227
(1R)-1-[2-(5-bromo-2-fluorophenoxy)-6-fluorophenyl]ethanol
CID 104940737
1-[2-(2-bromo-4-methoxyphenoxy)-6-fluorophenyl]ethanol
CID 104707954
2-(4-bromo-2,5-dichlorophenoxy)-6-fluorobenzoic acid
CID 107661509
1-[2-fluoro-6-(2-fluoro-5-methylphenoxy)phenyl]ethanol
CID 64854056
(1S)-1-[2-fluoro-6-(2-fluoro-5-methylphenoxy)phenyl]ethanol
CID 79001316
1-[2-(5-bromo-2-methylphenoxy)-6-fluorophenyl]ethanol
CID 107284910
(1R)-1-[2-(2,5-dimethylphenoxy)-6-fluorophenyl]ethanol
CID 78941581
(1R)-1-[2-(3-chlorophenoxy)-6-fluorophenyl]ethanol
CID 78941643

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-(4-bromo-2,5-dichlorophenoxy)-6-fluorophenyl]ethanol?
The IUPAC name of (1S)-1-[2-(4-bromo-2,5-dichlorophenoxy)-6-fluorophenyl]ethanol (CID 107659074) is (1S)-1-[2-(4-bromo-2,5-dichlorophenoxy)-6-fluorophenyl]ethanol.
What is the SMILES notation for (1S)-1-[2-(4-bromo-2,5-dichlorophenoxy)-6-fluorophenyl]ethanol?
The canonical SMILES for (1S)-1-[2-(4-bromo-2,5-dichlorophenoxy)-6-fluorophenyl]ethanol is C[C@H](O)c1c(F)cccc1Oc1cc(Cl)c(Br)cc1Cl.
What is the InChIKey of (1S)-1-[2-(4-bromo-2,5-dichlorophenoxy)-6-fluorophenyl]ethanol?
The InChIKey is YJFBKWUDFVRAIV-ZETCQYMHSA-N. The full InChI is InChI=1S/C14H10BrCl2FO2/c1-7(19)14-11(18)3-2-4-12(14)20-13-6-9(16)8(15)5-10(13)17/h2-7,19H,1H3/t7-/m0/s1.
What are the key properties of (1S)-1-[2-(4-bromo-2,5-dichlorophenoxy)-6-fluorophenyl]ethanol?
(1S)-1-[2-(4-bromo-2,5-dichlorophenoxy)-6-fluorophenyl]ethanol has a molecular weight of 380.04 g/mol, XLogP of 5.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-(4-bromo-2,5-dichlorophenoxy)-6-fluorophenyl]ethanol is sourced from PubChem (CID 107659074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).