5-[4-methoxy-3-(trifluoromethyl)phenyl]-2-methylphenol

C15H13F3O2 — CID 53219174

IUPAC5-[4-methoxy-3-(trifluoromethyl)phenyl]-2-methylphenol
SMILESCOc1ccc(-c2ccc(C)c(O)c2)cc1C(F)(F)F
InChIInChI=1S/C15H13F3O2/c1-9-3-4-11(8-13(9)19)10-5-6-14(20-2)12(7-10)15(16,17)18/h3-8,19H,1-2H3
InChIKeyOGYKCADNMBJUIA-UHFFFAOYSA-N
MW282.26 g/mol
LogP4.40
Rot. Bonds2

About 5-[4-methoxy-3-(trifluoromethyl)phenyl]-2-methylphenol

5-[4-methoxy-3-(trifluoromethyl)phenyl]-2-methylphenol (PubChem CID 53219174) has the molecular formula C15H13F3O2 and a molecular weight of 282.26 g/mol. Its IUPAC name is 5-[4-methoxy-3-(trifluoromethyl)phenyl]-2-methylphenol.

Molecular Properties

Compound Name5-[4-methoxy-3-(trifluoromethyl)phenyl]-2-methylphenol
PubChem CID53219174
Molecular FormulaC15H13F3O2
Molecular Weight282.26 g/mol
Exact Mass282.09
IUPAC Name5-[4-methoxy-3-(trifluoromethyl)phenyl]-2-methylphenol
SMILESCOc1ccc(-c2ccc(C)c(O)c2)cc1C(F)(F)F
InChIInChI=1S/C15H13F3O2/c1-9-3-4-11(8-13(9)19)10-5-6-14(20-2)12(7-10)15(16,17)18/h3-8,19H,1-2H3
InChIKeyOGYKCADNMBJUIA-UHFFFAOYSA-N
XLogP4.40
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-methoxy-2-methyl-4-(trifluoromethyl)phenol
CID 142839437
4-[4-methoxy-3-(trifluoromethyl)phenyl]aniline
CID 166784771
5-(3-hydroxy-4-methylphenyl)-2-methylphenol
CID 22942672
3-hydroxy-4-[4-methoxy-3-(trifluoromethyl)phenyl]benzoic acid
CID 53228622
5-(5-fluoro-2-methoxyphenyl)-2-methylphenol
CID 53218963
1-methyl-4-[4-[4-methyl-3-(trifluoromethyl)phenyl]phenyl]-2-(trifluoromethyl)benzene
CID 87917003
3-[4-methoxy-3-(trifluoromethyl)phenyl]pyridine
CID 46317327
CID 140844480
CID 140844480
5-(3-methoxyphenyl)-2-methylphenol
CID 53218836
3-(4-methoxy-3-methylphenyl)-5-(trifluoromethyl)phenol
CID 53222022
2-tert-butyl-4-(4-fluoro-3-methylphenyl)-1-methoxybenzene
CID 176729624
1-methyl-4-[3-methyl-4-(trifluoromethyl)phenyl]-2-(trifluoromethyl)benzene
CID 145326539

Frequently Asked Questions

What is the IUPAC name of 5-[4-methoxy-3-(trifluoromethyl)phenyl]-2-methylphenol?
The IUPAC name of 5-[4-methoxy-3-(trifluoromethyl)phenyl]-2-methylphenol (CID 53219174) is 5-[4-methoxy-3-(trifluoromethyl)phenyl]-2-methylphenol.
What is the SMILES notation for 5-[4-methoxy-3-(trifluoromethyl)phenyl]-2-methylphenol?
The canonical SMILES for 5-[4-methoxy-3-(trifluoromethyl)phenyl]-2-methylphenol is COc1ccc(-c2ccc(C)c(O)c2)cc1C(F)(F)F.
What is the InChIKey of 5-[4-methoxy-3-(trifluoromethyl)phenyl]-2-methylphenol?
The InChIKey is OGYKCADNMBJUIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3O2/c1-9-3-4-11(8-13(9)19)10-5-6-14(20-2)12(7-10)15(16,17)18/h3-8,19H,1-2H3.
What are the key properties of 5-[4-methoxy-3-(trifluoromethyl)phenyl]-2-methylphenol?
5-[4-methoxy-3-(trifluoromethyl)phenyl]-2-methylphenol has a molecular weight of 282.26 g/mol, XLogP of 4.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-methoxy-3-(trifluoromethyl)phenyl]-2-methylphenol is sourced from PubChem (CID 53219174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).