2-[[4-(trifluoromethoxy)phenyl]methyl]phenol

C14H11F3O2 — CID 67458560

IUPAC2-[[4-(trifluoromethoxy)phenyl]methyl]phenol
SMILESOc1ccccc1Cc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H11F3O2/c15-14(16,17)19-12-7-5-10(6-8-12)9-11-3-1-2-4-13(11)18/h1-8,18H,9H2
InChIKeyMJMWNGXWEJMFAU-UHFFFAOYSA-N
MW268.23 g/mol
LogP3.88
Rot. Bonds3

About 2-[[4-(trifluoromethoxy)phenyl]methyl]phenol

2-[[4-(trifluoromethoxy)phenyl]methyl]phenol (PubChem CID 67458560) has the molecular formula C14H11F3O2 and a molecular weight of 268.23 g/mol. Its IUPAC name is 2-[[4-(trifluoromethoxy)phenyl]methyl]phenol.

Molecular Properties

Compound Name2-[[4-(trifluoromethoxy)phenyl]methyl]phenol
PubChem CID67458560
Molecular FormulaC14H11F3O2
Molecular Weight268.23 g/mol
Exact Mass268.07
IUPAC Name2-[[4-(trifluoromethoxy)phenyl]methyl]phenol
SMILESOc1ccccc1Cc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H11F3O2/c15-14(16,17)19-12-7-5-10(6-8-12)9-11-3-1-2-4-13(11)18/h1-8,18H,9H2
InChIKeyMJMWNGXWEJMFAU-UHFFFAOYSA-N
XLogP3.88
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.23
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-propan-2-yloxyphenyl)methyl]phenol
CID 22145956
1-(2-phenylethyl)-4-(trifluoromethoxy)benzene
CID 91341581
2-[[4-(trifluoromethoxy)phenyl]methyl]pyrimidine
CID 68630973
2-[4-(trifluoromethoxy)phenoxy]phenol
CID 19755907
2-[4-(trifluoromethoxy)phenyl]phenol
CID 23225048
lithium;2-benzylphenol;hydride
CID 174706000
2-benzylphenol;ethane
CID 91068983
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[2-[[4-(trifluoromethoxy)phenyl]methyl]phenoxy]oxane-3,4,5-triol
CID 10181087
2-(hydroxymethyl)-4-(trifluoromethoxy)phenol
CID 11694149
2-[[4-(2,2-difluoroethenyl)phenyl]methyl]phenol
CID 67459044
1-chloro-4-[[2-(trifluoromethoxy)phenyl]methyl]benzene
CID 141398456
(1R,2S,3R,4R,6R)-4-(hydroxymethyl)-6-[2-[[4-(trifluoromethoxy)phenyl]methyl]phenoxy]cyclohexane-1,2,3-triol
CID 11661881

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(trifluoromethoxy)phenyl]methyl]phenol?
The IUPAC name of 2-[[4-(trifluoromethoxy)phenyl]methyl]phenol (CID 67458560) is 2-[[4-(trifluoromethoxy)phenyl]methyl]phenol.
What is the SMILES notation for 2-[[4-(trifluoromethoxy)phenyl]methyl]phenol?
The canonical SMILES for 2-[[4-(trifluoromethoxy)phenyl]methyl]phenol is Oc1ccccc1Cc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2-[[4-(trifluoromethoxy)phenyl]methyl]phenol?
The InChIKey is MJMWNGXWEJMFAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3O2/c15-14(16,17)19-12-7-5-10(6-8-12)9-11-3-1-2-4-13(11)18/h1-8,18H,9H2.
What are the key properties of 2-[[4-(trifluoromethoxy)phenyl]methyl]phenol?
2-[[4-(trifluoromethoxy)phenyl]methyl]phenol has a molecular weight of 268.23 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(trifluoromethoxy)phenyl]methyl]phenol is sourced from PubChem (CID 67458560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).