5-methyl-2-[[2-(trifluoromethyl)phenoxy]methyl]phenol

C15H13F3O2 — CID 117221012

IUPAC5-methyl-2-[[2-(trifluoromethyl)phenoxy]methyl]phenol
SMILESCc1ccc(COc2ccccc2C(F)(F)F)c(O)c1
InChIInChI=1S/C15H13F3O2/c1-10-6-7-11(13(19)8-10)9-20-14-5-3-2-4-12(14)15(16,17)18/h2-8,19H,9H2,1H3
InChIKeyLNDSPPHVOHJWQN-UHFFFAOYSA-N
MW282.26 g/mol
LogP4.30
Rot. Bonds3

About 5-methyl-2-[[2-(trifluoromethyl)phenoxy]methyl]phenol

5-methyl-2-[[2-(trifluoromethyl)phenoxy]methyl]phenol (PubChem CID 117221012) has the molecular formula C15H13F3O2 and a molecular weight of 282.26 g/mol. Its IUPAC name is 5-methyl-2-[[2-(trifluoromethyl)phenoxy]methyl]phenol.

Molecular Properties

Compound Name5-methyl-2-[[2-(trifluoromethyl)phenoxy]methyl]phenol
PubChem CID117221012
Molecular FormulaC15H13F3O2
Molecular Weight282.26 g/mol
Exact Mass282.09
IUPAC Name5-methyl-2-[[2-(trifluoromethyl)phenoxy]methyl]phenol
SMILESCc1ccc(COc2ccccc2C(F)(F)F)c(O)c1
InChIInChI=1S/C15H13F3O2/c1-10-6-7-11(13(19)8-10)9-20-14-5-3-2-4-12(14)15(16,17)18/h2-8,19H,9H2,1H3
InChIKeyLNDSPPHVOHJWQN-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-[(2-bromophenoxy)methyl]-5-methylphenol
CID 117221024
3-fluoro-4-[[2-(trifluoromethyl)phenoxy]methyl]phenol
CID 117219491
2-[(2-methylphenoxy)methyl]-5-(trifluoromethyl)phenol
CID 117220992
3-chloro-4-[[2-(trifluoromethyl)phenoxy]methyl]phenol
CID 117219492
1,4-dibromo-2,5-bis[[2-(trifluoromethyl)phenoxy]methyl]benzene
CID 86588170
5-methyl-2-[(3-methylphenoxy)methyl]phenol
CID 117221129
4-fluoro-2-[[2-(trifluoromethyl)phenoxy]methyl]aniline
CID 43443841
2-[(3-hydroxyphenoxy)methyl]-5-methylphenol
CID 117221141
2-[(4-methylphenoxy)methyl]-5-(trifluoromethyl)phenol
CID 117221211
2-(hydroperoxymethyl)-5-methylphenol
CID 21351355
N-methyl-1-[2-[[2-(trifluoromethyl)phenoxy]methyl]phenyl]methanamine
CID 62449458
[5-methyl-4-[[2-(trifluoromethyl)phenoxy]methyl]furan-2-yl]methanamine
CID 62450904

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[[2-(trifluoromethyl)phenoxy]methyl]phenol?
The IUPAC name of 5-methyl-2-[[2-(trifluoromethyl)phenoxy]methyl]phenol (CID 117221012) is 5-methyl-2-[[2-(trifluoromethyl)phenoxy]methyl]phenol.
What is the SMILES notation for 5-methyl-2-[[2-(trifluoromethyl)phenoxy]methyl]phenol?
The canonical SMILES for 5-methyl-2-[[2-(trifluoromethyl)phenoxy]methyl]phenol is Cc1ccc(COc2ccccc2C(F)(F)F)c(O)c1.
What is the InChIKey of 5-methyl-2-[[2-(trifluoromethyl)phenoxy]methyl]phenol?
The InChIKey is LNDSPPHVOHJWQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3O2/c1-10-6-7-11(13(19)8-10)9-20-14-5-3-2-4-12(14)15(16,17)18/h2-8,19H,9H2,1H3.
What are the key properties of 5-methyl-2-[[2-(trifluoromethyl)phenoxy]methyl]phenol?
5-methyl-2-[[2-(trifluoromethyl)phenoxy]methyl]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 5-methyl-2-[[2-(trifluoromethyl)phenoxy]methyl]phenol is sourced from PubChem (CID 117221012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).