(1S)-1-[2-(5-bromo-2-chlorophenoxy)-5-fluorophenyl]ethanol

C14H11BrClFO2 — CID 78955958

IUPAC(1S)-1-[2-(5-bromo-2-chlorophenoxy)-5-fluorophenyl]ethanol
SMILESC[C@H](O)c1cc(F)ccc1Oc1cc(Br)ccc1Cl
InChIInChI=1S/C14H11BrClFO2/c1-8(18)11-7-10(17)3-5-13(11)19-14-6-9(15)2-4-12(14)16/h2-8,18H,1H3/t8-/m0/s1
InChIKeyBZNGAWMQNLCISY-QMMMGPOBSA-N
MW345.60 g/mol
LogP5.09
Rot. Bonds3

About (1S)-1-[2-(5-bromo-2-chlorophenoxy)-5-fluorophenyl]ethanol

(1S)-1-[2-(5-bromo-2-chlorophenoxy)-5-fluorophenyl]ethanol (PubChem CID 78955958) has the molecular formula C14H11BrClFO2 and a molecular weight of 345.60 g/mol. Its IUPAC name is (1S)-1-[2-(5-bromo-2-chlorophenoxy)-5-fluorophenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[2-(5-bromo-2-chlorophenoxy)-5-fluorophenyl]ethanol
PubChem CID78955958
Molecular FormulaC14H11BrClFO2
Molecular Weight345.60 g/mol
Exact Mass343.96
IUPAC Name(1S)-1-[2-(5-bromo-2-chlorophenoxy)-5-fluorophenyl]ethanol
SMILESC[C@H](O)c1cc(F)ccc1Oc1cc(Br)ccc1Cl
InChIInChI=1S/C14H11BrClFO2/c1-8(18)11-7-10(17)3-5-13(11)19-14-6-9(15)2-4-12(14)16/h2-8,18H,1H3/t8-/m0/s1
InChIKeyBZNGAWMQNLCISY-QMMMGPOBSA-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-[5-bromo-2-(5-bromo-2-chlorophenoxy)phenyl]ethanol
CID 82970318
1-[5-bromo-2-(2-chloro-4-fluorophenoxy)phenyl]ethanol
CID 82970752
(1S)-1-[2-(2,5-dichlorophenoxy)-5-fluorophenyl]ethanol
CID 55183586
1-[4-bromo-2-(2-chloro-4-fluorophenoxy)phenyl]ethanol
CID 82970825
1-[2-(4-bromo-2-methylphenoxy)-5-fluorophenyl]ethanol
CID 63540649
1-[5-bromo-2-(2,5-dichlorophenoxy)phenyl]ethanol
CID 82970963
(1S)-1-[2-(2-chloro-4-fluorophenoxy)-5-fluorophenyl]ethanol
CID 55184876
(1R)-1-[2-(2-chloro-4-methylphenoxy)-5-fluorophenyl]ethanol
CID 63374690
(1R)-1-[2-(2,4-dichlorophenoxy)-5-fluorophenyl]ethanol
CID 63372482
1-[2-(3-chloro-2-fluorophenoxy)-5-fluorophenyl]ethanol
CID 116689382
(1S)-1-[2-(2-bromophenoxy)-5-fluorophenyl]ethanol
CID 78941416
1-[5-bromo-2-[(2-chloro-5-fluorophenyl)methoxy]phenyl]ethanol
CID 102616484

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-(5-bromo-2-chlorophenoxy)-5-fluorophenyl]ethanol?
The IUPAC name of (1S)-1-[2-(5-bromo-2-chlorophenoxy)-5-fluorophenyl]ethanol (CID 78955958) is (1S)-1-[2-(5-bromo-2-chlorophenoxy)-5-fluorophenyl]ethanol.
What is the SMILES notation for (1S)-1-[2-(5-bromo-2-chlorophenoxy)-5-fluorophenyl]ethanol?
The canonical SMILES for (1S)-1-[2-(5-bromo-2-chlorophenoxy)-5-fluorophenyl]ethanol is C[C@H](O)c1cc(F)ccc1Oc1cc(Br)ccc1Cl.
What is the InChIKey of (1S)-1-[2-(5-bromo-2-chlorophenoxy)-5-fluorophenyl]ethanol?
The InChIKey is BZNGAWMQNLCISY-QMMMGPOBSA-N. The full InChI is InChI=1S/C14H11BrClFO2/c1-8(18)11-7-10(17)3-5-13(11)19-14-6-9(15)2-4-12(14)16/h2-8,18H,1H3/t8-/m0/s1.
What are the key properties of (1S)-1-[2-(5-bromo-2-chlorophenoxy)-5-fluorophenyl]ethanol?
(1S)-1-[2-(5-bromo-2-chlorophenoxy)-5-fluorophenyl]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 (1S)-1-[2-(5-bromo-2-chlorophenoxy)-5-fluorophenyl]ethanol is sourced from PubChem (CID 78955958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).