2-[(4-methylphenoxy)methyl]-5-(trifluoromethyl)phenol

C15H13F3O2 — CID 117221211

IUPAC2-[(4-methylphenoxy)methyl]-5-(trifluoromethyl)phenol
SMILESCc1ccc(OCc2ccc(C(F)(F)F)cc2O)cc1
InChIInChI=1S/C15H13F3O2/c1-10-2-6-13(7-3-10)20-9-11-4-5-12(8-14(11)19)15(16,17)18/h2-8,19H,9H2,1H3
InChIKeyODJNMYNQCXRBIF-UHFFFAOYSA-N
MW282.26 g/mol
LogP4.30
Rot. Bonds3

About 2-[(4-methylphenoxy)methyl]-5-(trifluoromethyl)phenol

2-[(4-methylphenoxy)methyl]-5-(trifluoromethyl)phenol (PubChem CID 117221211) has the molecular formula C15H13F3O2 and a molecular weight of 282.26 g/mol. Its IUPAC name is 2-[(4-methylphenoxy)methyl]-5-(trifluoromethyl)phenol.

Molecular Properties

Compound Name2-[(4-methylphenoxy)methyl]-5-(trifluoromethyl)phenol
PubChem CID117221211
Molecular FormulaC15H13F3O2
Molecular Weight282.26 g/mol
Exact Mass282.09
IUPAC Name2-[(4-methylphenoxy)methyl]-5-(trifluoromethyl)phenol
SMILESCc1ccc(OCc2ccc(C(F)(F)F)cc2O)cc1
InChIInChI=1S/C15H13F3O2/c1-10-2-6-13(7-3-10)20-9-11-4-5-12(8-14(11)19)15(16,17)18/h2-8,19H,9H2,1H3
InChIKeyODJNMYNQCXRBIF-UHFFFAOYSA-N
XLogP4.30
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-hydroxyphenoxy)methyl]-5-(trifluoromethyl)phenol
CID 117221218
2-[(4-methylphenoxy)methyl]-5-(trifluoromethyl)benzoic acid
CID 117221220
5-methoxy-2-[(4-methylphenoxy)methyl]phenol
CID 117221283
2-[(3-hydroxyphenoxy)methyl]-5-(trifluoromethyl)phenol
CID 117221115
2-[(2-methylphenoxy)methyl]-5-(trifluoromethyl)phenol
CID 117220992
2-[(4-bromophenoxy)methyl]-5-methylphenol
CID 117221239
5-methoxy-2-[(4-methoxyphenoxy)methyl]phenol
CID 117221300
2-[[3-(trifluoromethyl)phenoxy]methyl]phenol
CID 117221120
5-methyl-2-[[2-(trifluoromethyl)phenoxy]methyl]phenol
CID 117221012
3-fluoro-4-[(4-methylphenoxy)methyl]benzoic acid
CID 63073092
5-methyl-2-[(3-methylphenoxy)methyl]phenol
CID 117221129
6-methyl-3-[[4-(trifluoromethyl)phenoxy]methyl]-1-benzofuran
CID 117185533

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylphenoxy)methyl]-5-(trifluoromethyl)phenol?
The IUPAC name of 2-[(4-methylphenoxy)methyl]-5-(trifluoromethyl)phenol (CID 117221211) is 2-[(4-methylphenoxy)methyl]-5-(trifluoromethyl)phenol.
What is the SMILES notation for 2-[(4-methylphenoxy)methyl]-5-(trifluoromethyl)phenol?
The canonical SMILES for 2-[(4-methylphenoxy)methyl]-5-(trifluoromethyl)phenol is Cc1ccc(OCc2ccc(C(F)(F)F)cc2O)cc1.
What is the InChIKey of 2-[(4-methylphenoxy)methyl]-5-(trifluoromethyl)phenol?
The InChIKey is ODJNMYNQCXRBIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3O2/c1-10-2-6-13(7-3-10)20-9-11-4-5-12(8-14(11)19)15(16,17)18/h2-8,19H,9H2,1H3.
What are the key properties of 2-[(4-methylphenoxy)methyl]-5-(trifluoromethyl)phenol?
2-[(4-methylphenoxy)methyl]-5-(trifluoromethyl)phenol has a molecular weight of 282.26 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylphenoxy)methyl]-5-(trifluoromethyl)phenol is sourced from PubChem (CID 117221211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).