2-methoxy-4,5-bis(trifluoromethyl)phenol

C9H6F6O2 — CID 118852194

IUPAC2-methoxy-4,5-bis(trifluoromethyl)phenol
SMILESCOc1cc(C(F)(F)F)c(C(F)(F)F)cc1O
InChIInChI=1S/C9H6F6O2/c1-17-7-3-5(9(13,14)15)4(2-6(7)16)8(10,11)12/h2-3,16H,1H3
InChIKeyUPVWJIITLDXLER-UHFFFAOYSA-N
MW260.13 g/mol
LogP3.44
Rot. Bonds1

About 2-methoxy-4,5-bis(trifluoromethyl)phenol

2-methoxy-4,5-bis(trifluoromethyl)phenol (PubChem CID 118852194) has the molecular formula C9H6F6O2 and a molecular weight of 260.13 g/mol. Its IUPAC name is 2-methoxy-4,5-bis(trifluoromethyl)phenol.

Molecular Properties

Compound Name2-methoxy-4,5-bis(trifluoromethyl)phenol
PubChem CID118852194
Molecular FormulaC9H6F6O2
Molecular Weight260.13 g/mol
Exact Mass260.03
IUPAC Name2-methoxy-4,5-bis(trifluoromethyl)phenol
SMILESCOc1cc(C(F)(F)F)c(C(F)(F)F)cc1O
InChIInChI=1S/C9H6F6O2/c1-17-7-3-5(9(13,14)15)4(2-6(7)16)8(10,11)12/h2-3,16H,1H3
InChIKeyUPVWJIITLDXLER-UHFFFAOYSA-N
XLogP3.44
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.13
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-methoxy-2-methyl-4-(trifluoromethyl)phenol
CID 142839437
2-[4,5-dimethoxy-2-(trifluoromethyl)phenyl]propan-2-amine
CID 117412105
2-[4,5-dimethoxy-2-(trifluoromethyl)phenyl]-2-methylpropan-1-ol
CID 117445820
N-(dimethylcarbamoyl)-5-hydroxy-4-methoxy-2-(trifluoromethyl)benzamide
CID 70258400
5-methoxybenzene-1,2,4-triol
CID 20551665
N-(tert-butylcarbamoyl)-5-hydroxy-4-methoxy-2-(trifluoromethyl)benzamide
CID 70261119
2-(2-chloro-5-hydroxy-4-methoxyphenyl)-2-fluoropropanoic acid
CID 105426079
3-methoxy-6-(trifluoromethyl)benzene-1,2-diol
CID 84675773
2-(2-aminopropan-2-yl)-4-hydroxy-5-methoxybenzaldehyde
CID 117298714
methyl 4,5-dimethoxy-2-(trifluoromethyl)benzoate
CID 171032673
4-methoxy-2,6-bis(trifluoromethyl)phenol
CID 134639085
5-[4-methoxy-3-(trifluoromethyl)phenyl]-2-methylphenol
CID 53219174

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4,5-bis(trifluoromethyl)phenol?
The IUPAC name of 2-methoxy-4,5-bis(trifluoromethyl)phenol (CID 118852194) is 2-methoxy-4,5-bis(trifluoromethyl)phenol.
What is the SMILES notation for 2-methoxy-4,5-bis(trifluoromethyl)phenol?
The canonical SMILES for 2-methoxy-4,5-bis(trifluoromethyl)phenol is COc1cc(C(F)(F)F)c(C(F)(F)F)cc1O.
What is the InChIKey of 2-methoxy-4,5-bis(trifluoromethyl)phenol?
The InChIKey is UPVWJIITLDXLER-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F6O2/c1-17-7-3-5(9(13,14)15)4(2-6(7)16)8(10,11)12/h2-3,16H,1H3.
What are the key properties of 2-methoxy-4,5-bis(trifluoromethyl)phenol?
2-methoxy-4,5-bis(trifluoromethyl)phenol has a molecular weight of 260.13 g/mol, XLogP of 3.44, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4,5-bis(trifluoromethyl)phenol is sourced from PubChem (CID 118852194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).