2-bromo-6-methoxy-4-(trifluoromethoxy)phenol

C8H6BrF3O3 — CID 131277927

IUPAC2-bromo-6-methoxy-4-(trifluoromethoxy)phenol
SMILESCOc1cc(OC(F)(F)F)cc(Br)c1O
InChIInChI=1S/C8H6BrF3O3/c1-14-6-3-4(15-8(10,11)12)2-5(9)7(6)13/h2-3,13H,1H3
InChIKeyNXWSFSHYVRSXCJ-UHFFFAOYSA-N
MW287.03 g/mol
LogP3.06
Rot. Bonds2

About 2-bromo-6-methoxy-4-(trifluoromethoxy)phenol

2-bromo-6-methoxy-4-(trifluoromethoxy)phenol (PubChem CID 131277927) has the molecular formula C8H6BrF3O3 and a molecular weight of 287.03 g/mol. Its IUPAC name is 2-bromo-6-methoxy-4-(trifluoromethoxy)phenol.

Molecular Properties

Compound Name2-bromo-6-methoxy-4-(trifluoromethoxy)phenol
PubChem CID131277927
Molecular FormulaC8H6BrF3O3
Molecular Weight287.03 g/mol
Exact Mass285.95
IUPAC Name2-bromo-6-methoxy-4-(trifluoromethoxy)phenol
SMILESCOc1cc(OC(F)(F)F)cc(Br)c1O
InChIInChI=1S/C8H6BrF3O3/c1-14-6-3-4(15-8(10,11)12)2-5(9)7(6)13/h2-3,13H,1H3
InChIKeyNXWSFSHYVRSXCJ-UHFFFAOYSA-N
XLogP3.06
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.03
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(S)-amino-[4-(trifluoromethoxy)phenyl]methyl]-2-bromo-6-methoxyphenol
CID 171241821
2-bromo-4-fluoro-6-methoxyphenol
CID 58419882
4-[(1S)-1-amino-2,2,2-trifluoroethyl]-2-bromo-6-methoxyphenol
CID 66512189
1,2-dimethoxy-4-(trifluoromethoxy)benzene
CID 58342037
2-bromo-4-(2-hydroxypropan-2-yl)-6-methoxyphenol
CID 15547804
2,6-dibromo-4-(trifluoromethoxy)aniline
CID 2736797
4-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-2,6-dimethoxyphenol
CID 171246193
4-[(1S)-1-amino-3,3,3-trifluoropropyl]-2-bromo-6-methoxyphenol;hydrochloride
CID 171226138
2-[(1S)-1-amino-2-hydroxyethyl]-6-bromo-4-(trifluoromethoxy)phenol
CID 66516297
4-(1-amino-2,2-difluoroethyl)-2-bromo-6-methoxyphenol
CID 130062366
3-bromo-4-hydroxy-5-(trifluoromethoxy)benzaldehyde
CID 162531262
1-iodo-2-methoxy-4-(trifluoromethoxy)benzene
CID 53415972

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-methoxy-4-(trifluoromethoxy)phenol?
The IUPAC name of 2-bromo-6-methoxy-4-(trifluoromethoxy)phenol (CID 131277927) is 2-bromo-6-methoxy-4-(trifluoromethoxy)phenol.
What is the SMILES notation for 2-bromo-6-methoxy-4-(trifluoromethoxy)phenol?
The canonical SMILES for 2-bromo-6-methoxy-4-(trifluoromethoxy)phenol is COc1cc(OC(F)(F)F)cc(Br)c1O.
What is the InChIKey of 2-bromo-6-methoxy-4-(trifluoromethoxy)phenol?
The InChIKey is NXWSFSHYVRSXCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrF3O3/c1-14-6-3-4(15-8(10,11)12)2-5(9)7(6)13/h2-3,13H,1H3.
What are the key properties of 2-bromo-6-methoxy-4-(trifluoromethoxy)phenol?
2-bromo-6-methoxy-4-(trifluoromethoxy)phenol has a molecular weight of 287.03 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-methoxy-4-(trifluoromethoxy)phenol is sourced from PubChem (CID 131277927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).