4-methoxy-3-(trifluoromethoxy)phenol

C8H7F3O3 — CID 67275723

IUPAC4-methoxy-3-(trifluoromethoxy)phenol
SMILESCOc1ccc(O)cc1OC(F)(F)F
InChIInChI=1S/C8H7F3O3/c1-13-6-3-2-5(12)4-7(6)14-8(9,10)11/h2-4,12H,1H3
InChIKeyBYRGJEZNJNKESI-UHFFFAOYSA-N
MW208.13 g/mol
LogP2.30
Rot. Bonds2

About 4-methoxy-3-(trifluoromethoxy)phenol

4-methoxy-3-(trifluoromethoxy)phenol (PubChem CID 67275723) has the molecular formula C8H7F3O3 and a molecular weight of 208.13 g/mol. Its IUPAC name is 4-methoxy-3-(trifluoromethoxy)phenol.

Molecular Properties

Compound Name4-methoxy-3-(trifluoromethoxy)phenol
PubChem CID67275723
Molecular FormulaC8H7F3O3
Molecular Weight208.13 g/mol
Exact Mass208.03
IUPAC Name4-methoxy-3-(trifluoromethoxy)phenol
SMILESCOc1ccc(O)cc1OC(F)(F)F
InChIInChI=1S/C8H7F3O3/c1-13-6-3-2-5(12)4-7(6)14-8(9,10)11/h2-4,12H,1H3
InChIKeyBYRGJEZNJNKESI-UHFFFAOYSA-N
XLogP2.30
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.13
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;3-methoxy-4-(trifluoromethoxy)phenol
CID 142516973
4-[4-hydroxy-2-(trifluoromethoxy)phenyl]-3-(trifluoromethoxy)phenol
CID 139790493
4-iodo-1-methoxy-2-(trifluoromethoxy)benzene
CID 68685486
4-methoxy-3-(2,2,2-trifluoroethoxy)phenol
CID 167312142
1-methoxy-4-methylsulfanyl-2-(trifluoromethoxy)benzene
CID 170999445
1-[4-hydroxy-2-(trifluoromethoxy)phenyl]ethanone
CID 167069993
1,2-dimethoxy-4-(trifluoromethoxy)benzene
CID 58342037
3-fluoro-4-methoxyphenol
CID 14661613
4-fluoro-2-methoxy-1-(trifluoromethoxy)benzene
CID 131171208
4-isocyanato-1-methoxy-2-(trifluoromethoxy)benzene
CID 169352878
4-hydroxy-2-(trifluoromethoxy)benzoyl chloride
CID 134639001
3-[4-methoxy-3-(trifluoromethoxy)phenyl]-2-methylprop-2-enoic acid
CID 123489109

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-(trifluoromethoxy)phenol?
The IUPAC name of 4-methoxy-3-(trifluoromethoxy)phenol (CID 67275723) is 4-methoxy-3-(trifluoromethoxy)phenol.
What is the SMILES notation for 4-methoxy-3-(trifluoromethoxy)phenol?
The canonical SMILES for 4-methoxy-3-(trifluoromethoxy)phenol is COc1ccc(O)cc1OC(F)(F)F.
What is the InChIKey of 4-methoxy-3-(trifluoromethoxy)phenol?
The InChIKey is BYRGJEZNJNKESI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3O3/c1-13-6-3-2-5(12)4-7(6)14-8(9,10)11/h2-4,12H,1H3.
What are the key properties of 4-methoxy-3-(trifluoromethoxy)phenol?
4-methoxy-3-(trifluoromethoxy)phenol has a molecular weight of 208.13 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-(trifluoromethoxy)phenol is sourced from PubChem (CID 67275723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).