2-(2-bromophenyl)-1-[3-(trifluoromethoxy)phenyl]ethanol

C15H12BrF3O2 — CID 62918413

IUPAC2-(2-bromophenyl)-1-[3-(trifluoromethoxy)phenyl]ethanol
SMILESOC(Cc1ccccc1Br)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C15H12BrF3O2/c16-13-7-2-1-4-10(13)9-14(20)11-5-3-6-12(8-11)21-15(17,18)19/h1-8,14,20H,9H2
InChIKeyRUJJFNLAPROGRC-UHFFFAOYSA-N
MW361.16 g/mol
LogP4.62
Rot. Bonds4

About 2-(2-bromophenyl)-1-[3-(trifluoromethoxy)phenyl]ethanol

2-(2-bromophenyl)-1-[3-(trifluoromethoxy)phenyl]ethanol (PubChem CID 62918413) has the molecular formula C15H12BrF3O2 and a molecular weight of 361.16 g/mol. Its IUPAC name is 2-(2-bromophenyl)-1-[3-(trifluoromethoxy)phenyl]ethanol.

Molecular Properties

Compound Name2-(2-bromophenyl)-1-[3-(trifluoromethoxy)phenyl]ethanol
PubChem CID62918413
Molecular FormulaC15H12BrF3O2
Molecular Weight361.16 g/mol
Exact Mass360.00
IUPAC Name2-(2-bromophenyl)-1-[3-(trifluoromethoxy)phenyl]ethanol
SMILESOC(Cc1ccccc1Br)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C15H12BrF3O2/c16-13-7-2-1-4-10(13)9-14(20)11-5-3-6-12(8-11)21-15(17,18)19/h1-8,14,20H,9H2
InChIKeyRUJJFNLAPROGRC-UHFFFAOYSA-N
XLogP4.62
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.16
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromothiophen-2-yl)-1-[3-(trifluoromethoxy)phenyl]ethanol
CID 107104973
2-phenoxy-1-[3-(trifluoromethoxy)phenyl]ethanol
CID 62918071
4-ethoxy-1-[3-(trifluoromethoxy)phenyl]butan-1-ol
CID 105096658
2-amino-1-[3-(trifluoromethoxy)phenyl]ethanol;hydrochloride
CID 122199367
1-(3-bromophenyl)-2-[4-(trifluoromethoxy)phenyl]ethanol
CID 62606496
3-hydroxy-3-[3-(trifluoromethoxy)phenyl]propanal
CID 107105425
(3-bromo-2-fluorophenyl)-[3-(trifluoromethoxy)phenyl]methanol
CID 107104966
(2-bromophenyl)-[3-(trifluoromethoxy)phenyl]methanamine
CID 62916544
3-methoxy-3-methyl-1-[3-(trifluoromethoxy)phenyl]butan-1-ol
CID 103027521
(3-bromo-4-fluorophenyl)-[3-(trifluoromethoxy)phenyl]methanol
CID 63895294
2-(1-methylpyrazol-4-yl)-1-[3-(trifluoromethoxy)phenyl]ethanol
CID 107105009
(3-bromo-4-chlorophenyl)-[3-(trifluoromethoxy)phenyl]methanol
CID 115566361

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-1-[3-(trifluoromethoxy)phenyl]ethanol?
The IUPAC name of 2-(2-bromophenyl)-1-[3-(trifluoromethoxy)phenyl]ethanol (CID 62918413) is 2-(2-bromophenyl)-1-[3-(trifluoromethoxy)phenyl]ethanol.
What is the SMILES notation for 2-(2-bromophenyl)-1-[3-(trifluoromethoxy)phenyl]ethanol?
The canonical SMILES for 2-(2-bromophenyl)-1-[3-(trifluoromethoxy)phenyl]ethanol is OC(Cc1ccccc1Br)c1cccc(OC(F)(F)F)c1.
What is the InChIKey of 2-(2-bromophenyl)-1-[3-(trifluoromethoxy)phenyl]ethanol?
The InChIKey is RUJJFNLAPROGRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrF3O2/c16-13-7-2-1-4-10(13)9-14(20)11-5-3-6-12(8-11)21-15(17,18)19/h1-8,14,20H,9H2.
What are the key properties of 2-(2-bromophenyl)-1-[3-(trifluoromethoxy)phenyl]ethanol?
2-(2-bromophenyl)-1-[3-(trifluoromethoxy)phenyl]ethanol has a molecular weight of 361.16 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-1-[3-(trifluoromethoxy)phenyl]ethanol is sourced from PubChem (CID 62918413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).