2-[2-[4-bromo-2-(trifluoromethyl)phenoxy]phenyl]ethanol

C15H12BrF3O2 — CID 107713703

IUPAC2-[2-[4-bromo-2-(trifluoromethyl)phenoxy]phenyl]ethanol
SMILESOCCc1ccccc1Oc1ccc(Br)cc1C(F)(F)F
InChIInChI=1S/C15H12BrF3O2/c16-11-5-6-14(12(9-11)15(17,18)19)21-13-4-2-1-3-10(13)7-8-20/h1-6,9,20H,7-8H2
InChIKeyJWOXYGXMZZCNNL-UHFFFAOYSA-N
MW361.16 g/mol
LogP4.80
Rot. Bonds4

About 2-[2-[4-bromo-2-(trifluoromethyl)phenoxy]phenyl]ethanol

2-[2-[4-bromo-2-(trifluoromethyl)phenoxy]phenyl]ethanol (PubChem CID 107713703) has the molecular formula C15H12BrF3O2 and a molecular weight of 361.16 g/mol. Its IUPAC name is 2-[2-[4-bromo-2-(trifluoromethyl)phenoxy]phenyl]ethanol.

Molecular Properties

Compound Name2-[2-[4-bromo-2-(trifluoromethyl)phenoxy]phenyl]ethanol
PubChem CID107713703
Molecular FormulaC15H12BrF3O2
Molecular Weight361.16 g/mol
Exact Mass360.00
IUPAC Name2-[2-[4-bromo-2-(trifluoromethyl)phenoxy]phenyl]ethanol
SMILESOCCc1ccccc1Oc1ccc(Br)cc1C(F)(F)F
InChIInChI=1S/C15H12BrF3O2/c16-11-5-6-14(12(9-11)15(17,18)19)21-13-4-2-1-3-10(13)7-8-20/h1-6,9,20H,7-8H2
InChIKeyJWOXYGXMZZCNNL-UHFFFAOYSA-N
XLogP4.80
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 ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-[4-amino-2-(trifluoromethyl)phenoxy]phenyl]ethanol
CID 107711923
[5-bromo-2-[2-(trifluoromethyl)phenoxy]phenyl]methanamine
CID 114889837
4-bromo-1-(5-bromo-2-fluorophenoxy)-2-(trifluoromethyl)benzene
CID 114673155
5-bromo-2-[2-(trifluoromethyl)phenoxy]benzoic acid
CID 114896080
(1R)-1-[3-bromo-4-[2-(2-hydroxyethyl)phenoxy]phenyl]ethanol
CID 107712787
4-bromo-1-[[4-bromo-2-(trifluoromethyl)phenoxy]methoxy]-2-(trifluoromethyl)benzene
CID 166607724
4-bromo-1-(5-bromo-2-methylphenoxy)-2-(trifluoromethyl)benzene
CID 107284389
2-[2-[4-(1-aminoethyl)-2-bromophenoxy]phenyl]ethanol
CID 107712752
4-[4-bromo-2-(trifluoromethyl)phenoxy]aniline
CID 65483620
3-amino-4-[2-(2-hydroxyethyl)phenoxy]benzoic acid
CID 107713832
2-[2-[2-(aminomethyl)-4-methylphenoxy]phenyl]ethanol
CID 107926570
2-[2-(2-amino-4-methylphenoxy)phenyl]ethanol
CID 70462198

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-bromo-2-(trifluoromethyl)phenoxy]phenyl]ethanol?
The IUPAC name of 2-[2-[4-bromo-2-(trifluoromethyl)phenoxy]phenyl]ethanol (CID 107713703) is 2-[2-[4-bromo-2-(trifluoromethyl)phenoxy]phenyl]ethanol.
What is the SMILES notation for 2-[2-[4-bromo-2-(trifluoromethyl)phenoxy]phenyl]ethanol?
The canonical SMILES for 2-[2-[4-bromo-2-(trifluoromethyl)phenoxy]phenyl]ethanol is OCCc1ccccc1Oc1ccc(Br)cc1C(F)(F)F.
What is the InChIKey of 2-[2-[4-bromo-2-(trifluoromethyl)phenoxy]phenyl]ethanol?
The InChIKey is JWOXYGXMZZCNNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrF3O2/c16-11-5-6-14(12(9-11)15(17,18)19)21-13-4-2-1-3-10(13)7-8-20/h1-6,9,20H,7-8H2.
What are the key properties of 2-[2-[4-bromo-2-(trifluoromethyl)phenoxy]phenyl]ethanol?
2-[2-[4-bromo-2-(trifluoromethyl)phenoxy]phenyl]ethanol has a molecular weight of 361.16 g/mol, XLogP of 4.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-bromo-2-(trifluoromethyl)phenoxy]phenyl]ethanol is sourced from PubChem (CID 107713703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).