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

C15H13F3O2 — CID 117220992

IUPAC2-[(2-methylphenoxy)methyl]-5-(trifluoromethyl)phenol
SMILESCc1ccccc1OCc1ccc(C(F)(F)F)cc1O
InChIInChI=1S/C15H13F3O2/c1-10-4-2-3-5-14(10)20-9-11-6-7-12(8-13(11)19)15(16,17)18/h2-8,19H,9H2,1H3
InChIKeyVNVZYDHIQRZLHP-UHFFFAOYSA-N
MW282.26 g/mol
LogP4.30
Rot. Bonds3

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

2-[(2-methylphenoxy)methyl]-5-(trifluoromethyl)phenol (PubChem CID 117220992) has the molecular formula C15H13F3O2 and a molecular weight of 282.26 g/mol. Its IUPAC name is 2-[(2-methylphenoxy)methyl]-5-(trifluoromethyl)phenol.

Molecular Properties

Compound Name2-[(2-methylphenoxy)methyl]-5-(trifluoromethyl)phenol
PubChem CID117220992
Molecular FormulaC15H13F3O2
Molecular Weight282.26 g/mol
Exact Mass282.09
IUPAC Name2-[(2-methylphenoxy)methyl]-5-(trifluoromethyl)phenol
SMILESCc1ccccc1OCc1ccc(C(F)(F)F)cc1O
InChIInChI=1S/C15H13F3O2/c1-10-4-2-3-5-14(10)20-9-11-6-7-12(8-13(11)19)15(16,17)18/h2-8,19H,9H2,1H3
InChIKeyVNVZYDHIQRZLHP-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

N-methyl-2-[(2-methylphenoxy)methyl]-4-(trifluoromethyl)aniline
CID 144932781
2-[(4-methylphenoxy)methyl]-5-(trifluoromethyl)phenol
CID 117221211
5-methyl-2-[[2-(trifluoromethyl)phenoxy]methyl]phenol
CID 117221012
2-[(4-hydroxyphenoxy)methyl]-5-(trifluoromethyl)phenol
CID 117221218
2-[(3-hydroxyphenoxy)methyl]-5-(trifluoromethyl)phenol
CID 117221115
1-(bromomethyl)-4-(trifluoromethyl)benzene;2-methylphenol;1-methyl-2-[[4-(trifluoromethyl)phenyl]methoxy]benzene
CID 157147743
3-fluoro-4-[(2-methylphenoxy)methyl]benzoic acid
CID 63073082
2-[(hydroxyamino)methyl]-5-(trifluoromethyl)phenol
CID 117295401
[4-fluoro-2-[(2-methylphenoxy)methyl]phenyl]methanamine
CID 64763729
ethane;1-[(4-fluorophenyl)methoxy]-2-methyl-4-(trifluoromethyl)benzene
CID 143034150
2-(ethylaminomethyl)-5-(trifluoromethyl)phenol
CID 82549994
2-[[3-(trifluoromethyl)phenoxy]methyl]phenol
CID 117221120

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylphenoxy)methyl]-5-(trifluoromethyl)phenol?
The IUPAC name of 2-[(2-methylphenoxy)methyl]-5-(trifluoromethyl)phenol (CID 117220992) is 2-[(2-methylphenoxy)methyl]-5-(trifluoromethyl)phenol.
What is the SMILES notation for 2-[(2-methylphenoxy)methyl]-5-(trifluoromethyl)phenol?
The canonical SMILES for 2-[(2-methylphenoxy)methyl]-5-(trifluoromethyl)phenol is Cc1ccccc1OCc1ccc(C(F)(F)F)cc1O.
What is the InChIKey of 2-[(2-methylphenoxy)methyl]-5-(trifluoromethyl)phenol?
The InChIKey is VNVZYDHIQRZLHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3O2/c1-10-4-2-3-5-14(10)20-9-11-6-7-12(8-13(11)19)15(16,17)18/h2-8,19H,9H2,1H3.
What are the key properties of 2-[(2-methylphenoxy)methyl]-5-(trifluoromethyl)phenol?
2-[(2-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-[(2-methylphenoxy)methyl]-5-(trifluoromethyl)phenol is sourced from PubChem (CID 117220992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).