5-methoxy-2-methyl-4-(trifluoromethyl)phenol

C9H9F3O2 — CID 142839437

IUPAC5-methoxy-2-methyl-4-(trifluoromethyl)phenol
SMILESCOc1cc(O)c(C)cc1C(F)(F)F
InChIInChI=1S/C9H9F3O2/c1-5-3-6(9(10,11)12)8(14-2)4-7(5)13/h3-4,13H,1-2H3
InChIKeyRAKBTJBKEVNBRJ-UHFFFAOYSA-N
MW206.16 g/mol
LogP2.73
Rot. Bonds1

About 5-methoxy-2-methyl-4-(trifluoromethyl)phenol

5-methoxy-2-methyl-4-(trifluoromethyl)phenol (PubChem CID 142839437) has the molecular formula C9H9F3O2 and a molecular weight of 206.16 g/mol. Its IUPAC name is 5-methoxy-2-methyl-4-(trifluoromethyl)phenol.

Molecular Properties

Compound Name5-methoxy-2-methyl-4-(trifluoromethyl)phenol
PubChem CID142839437
Molecular FormulaC9H9F3O2
Molecular Weight206.16 g/mol
Exact Mass206.06
IUPAC Name5-methoxy-2-methyl-4-(trifluoromethyl)phenol
SMILESCOc1cc(O)c(C)cc1C(F)(F)F
InChIInChI=1S/C9H9F3O2/c1-5-3-6(9(10,11)12)8(14-2)4-7(5)13/h3-4,13H,1-2H3
InChIKeyRAKBTJBKEVNBRJ-UHFFFAOYSA-N
XLogP2.73
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.16
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-methoxy-5-methyl-2,4-bis(trifluoromethyl)benzene
CID 135743171
2,5-dimethyl-4-(trifluoromethyl)phenol
CID 121432589
5-[4-methoxy-3-(trifluoromethyl)phenyl]-2-methylphenol
CID 53219174
2-methoxy-4,5-bis(trifluoromethyl)phenol
CID 118852194
5-[1,1,1,3,3,3-hexafluoro-2-[5-hydroxy-4-methyl-2-(trifluoromethyl)phenyl]propan-2-yl]-2-methyl-4-(trifluoromethyl)phenol
CID 134165364
4-iodo-5-methoxy-2-methylphenol
CID 166815772
4-chloro-5-methoxy-2-methylphenol
CID 21341377
1-bromo-2,4-dimethoxy-5-(trifluoromethyl)benzene
CID 131371239
5-methoxy-2,4-bis(trifluoromethyl)aniline
CID 134640552
2,5-dimethyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenol
CID 118535521
1-chloro-2-methoxy-4-methyl-5-(trifluoromethyl)benzene
CID 116964823
1-chloro-2-fluoro-4-methoxy-5-(trifluoromethyl)benzene
CID 171001576

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-methyl-4-(trifluoromethyl)phenol?
The IUPAC name of 5-methoxy-2-methyl-4-(trifluoromethyl)phenol (CID 142839437) is 5-methoxy-2-methyl-4-(trifluoromethyl)phenol.
What is the SMILES notation for 5-methoxy-2-methyl-4-(trifluoromethyl)phenol?
The canonical SMILES for 5-methoxy-2-methyl-4-(trifluoromethyl)phenol is COc1cc(O)c(C)cc1C(F)(F)F.
What is the InChIKey of 5-methoxy-2-methyl-4-(trifluoromethyl)phenol?
The InChIKey is RAKBTJBKEVNBRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3O2/c1-5-3-6(9(10,11)12)8(14-2)4-7(5)13/h3-4,13H,1-2H3.
What are the key properties of 5-methoxy-2-methyl-4-(trifluoromethyl)phenol?
5-methoxy-2-methyl-4-(trifluoromethyl)phenol has a molecular weight of 206.16 g/mol, XLogP of 2.73, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-methyl-4-(trifluoromethyl)phenol is sourced from PubChem (CID 142839437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).