3-[[3-(trifluoromethyl)phenyl]methoxy]phenol

C14H11F3O2 — CID 43326369

IUPAC3-[[3-(trifluoromethyl)phenyl]methoxy]phenol
SMILESOc1cccc(OCc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C14H11F3O2/c15-14(16,17)11-4-1-3-10(7-11)9-19-13-6-2-5-12(18)8-13/h1-8,18H,9H2
InChIKeyHWQRNZGCIDGVFW-UHFFFAOYSA-N
MW268.23 g/mol
LogP3.99
Rot. Bonds3

About 3-[[3-(trifluoromethyl)phenyl]methoxy]phenol

3-[[3-(trifluoromethyl)phenyl]methoxy]phenol (PubChem CID 43326369) has the molecular formula C14H11F3O2 and a molecular weight of 268.23 g/mol. Its IUPAC name is 3-[[3-(trifluoromethyl)phenyl]methoxy]phenol.

Molecular Properties

Compound Name3-[[3-(trifluoromethyl)phenyl]methoxy]phenol
PubChem CID43326369
Molecular FormulaC14H11F3O2
Molecular Weight268.23 g/mol
Exact Mass268.07
IUPAC Name3-[[3-(trifluoromethyl)phenyl]methoxy]phenol
SMILESOc1cccc(OCc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C14H11F3O2/c15-14(16,17)11-4-1-3-10(7-11)9-19-13-6-2-5-12(18)8-13/h1-8,18H,9H2
InChIKeyHWQRNZGCIDGVFW-UHFFFAOYSA-N
XLogP3.99
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 ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[[3-(trifluoromethyl)phenyl]methoxy]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(trifluoromethyl)phenyl]methoxy]phenol?
The IUPAC name of 3-[[3-(trifluoromethyl)phenyl]methoxy]phenol (CID 43326369) is 3-[[3-(trifluoromethyl)phenyl]methoxy]phenol.
What is the SMILES notation for 3-[[3-(trifluoromethyl)phenyl]methoxy]phenol?
The canonical SMILES for 3-[[3-(trifluoromethyl)phenyl]methoxy]phenol is Oc1cccc(OCc2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of 3-[[3-(trifluoromethyl)phenyl]methoxy]phenol?
The InChIKey is HWQRNZGCIDGVFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3O2/c15-14(16,17)11-4-1-3-10(7-11)9-19-13-6-2-5-12(18)8-13/h1-8,18H,9H2.
What are the key properties of 3-[[3-(trifluoromethyl)phenyl]methoxy]phenol?
3-[[3-(trifluoromethyl)phenyl]methoxy]phenol has a molecular weight of 268.23 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(trifluoromethyl)phenyl]methoxy]phenol is sourced from PubChem (CID 43326369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).