(1S)-1-[2-(2-bromophenoxy)-5-fluorophenyl]ethanol

C14H12BrFO2 — CID 78941416

IUPAC(1S)-1-[2-(2-bromophenoxy)-5-fluorophenyl]ethanol
SMILESC[C@H](O)c1cc(F)ccc1Oc1ccccc1Br
InChIInChI=1S/C14H12BrFO2/c1-9(17)11-8-10(16)6-7-13(11)18-14-5-3-2-4-12(14)15/h2-9,17H,1H3/t9-/m0/s1
InChIKeyOMZAITNBKYYYCJ-VIFPVBQESA-N
MW311.15 g/mol
LogP4.43
Rot. Bonds3

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

(1S)-1-[2-(2-bromophenoxy)-5-fluorophenyl]ethanol (PubChem CID 78941416) has the molecular formula C14H12BrFO2 and a molecular weight of 311.15 g/mol. Its IUPAC name is (1S)-1-[2-(2-bromophenoxy)-5-fluorophenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[2-(2-bromophenoxy)-5-fluorophenyl]ethanol
PubChem CID78941416
Molecular FormulaC14H12BrFO2
Molecular Weight311.15 g/mol
Exact Mass310.00
IUPAC Name(1S)-1-[2-(2-bromophenoxy)-5-fluorophenyl]ethanol
SMILESC[C@H](O)c1cc(F)ccc1Oc1ccccc1Br
InChIInChI=1S/C14H12BrFO2/c1-9(17)11-8-10(16)6-7-13(11)18-14-5-3-2-4-12(14)15/h2-9,17H,1H3/t9-/m0/s1
InChIKeyOMZAITNBKYYYCJ-VIFPVBQESA-N
XLogP4.43
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.15
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(5-fluoro-2-phenoxyphenyl)ethanol
CID 78941630
(1R)-1-[2-(2-butan-2-ylphenoxy)-5-fluorophenyl]ethanol
CID 63541276
1-[2-(4-bromo-2-methylphenoxy)-5-fluorophenyl]ethanol
CID 63540649
(1S)-1-[2-(2-chloro-4-fluorophenoxy)-5-fluorophenyl]ethanol
CID 55184876
(1S)-1-[2-(4-bromo-3-methylphenoxy)-5-fluorophenyl]ethanol
CID 83141129
(1S)-1-[2-(5-bromo-2-chlorophenoxy)-5-fluorophenyl]ethanol
CID 78955958
(1R)-1-[2-(2-bromo-6-nitrophenoxy)-5-fluorophenyl]ethanol
CID 81495973
1-[2-(2,4-dibromophenoxy)phenyl]ethanol
CID 64720452
1-[4-bromo-2-(2-bromophenoxy)phenyl]ethanol
CID 82971318
(1R)-1-[2-(2,4-dibromophenoxy)phenyl]ethanol
CID 78999180
1-[2-(3-chloro-2-fluorophenoxy)-5-fluorophenyl]ethanol
CID 116689382
(1S)-1-[5-fluoro-2-(2-nitrophenoxy)phenyl]ethanol
CID 78941827

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-(2-bromophenoxy)-5-fluorophenyl]ethanol?
The IUPAC name of (1S)-1-[2-(2-bromophenoxy)-5-fluorophenyl]ethanol (CID 78941416) is (1S)-1-[2-(2-bromophenoxy)-5-fluorophenyl]ethanol.
What is the SMILES notation for (1S)-1-[2-(2-bromophenoxy)-5-fluorophenyl]ethanol?
The canonical SMILES for (1S)-1-[2-(2-bromophenoxy)-5-fluorophenyl]ethanol is C[C@H](O)c1cc(F)ccc1Oc1ccccc1Br.
What is the InChIKey of (1S)-1-[2-(2-bromophenoxy)-5-fluorophenyl]ethanol?
The InChIKey is OMZAITNBKYYYCJ-VIFPVBQESA-N. The full InChI is InChI=1S/C14H12BrFO2/c1-9(17)11-8-10(16)6-7-13(11)18-14-5-3-2-4-12(14)15/h2-9,17H,1H3/t9-/m0/s1.
What are the key properties of (1S)-1-[2-(2-bromophenoxy)-5-fluorophenyl]ethanol?
(1S)-1-[2-(2-bromophenoxy)-5-fluorophenyl]ethanol has a molecular weight of 311.15 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-(2-bromophenoxy)-5-fluorophenyl]ethanol is sourced from PubChem (CID 78941416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).