2-(hydroxymethyl)-4-(trifluoromethoxy)phenol

C8H7F3O3 — CID 11694149

IUPAC2-(hydroxymethyl)-4-(trifluoromethoxy)phenol
SMILESOCc1cc(OC(F)(F)F)ccc1O
InChIInChI=1S/C8H7F3O3/c9-8(10,11)14-6-1-2-7(13)5(3-6)4-12/h1-3,12-13H,4H2
InChIKeyOTEPOBZTTWZMFK-UHFFFAOYSA-N
MW208.13 g/mol
LogP1.78
Rot. Bonds2

About 2-(hydroxymethyl)-4-(trifluoromethoxy)phenol

2-(hydroxymethyl)-4-(trifluoromethoxy)phenol (PubChem CID 11694149) has the molecular formula C8H7F3O3 and a molecular weight of 208.13 g/mol. Its IUPAC name is 2-(hydroxymethyl)-4-(trifluoromethoxy)phenol.

Molecular Properties

Compound Name2-(hydroxymethyl)-4-(trifluoromethoxy)phenol
PubChem CID11694149
Molecular FormulaC8H7F3O3
Molecular Weight208.13 g/mol
Exact Mass208.03
IUPAC Name2-(hydroxymethyl)-4-(trifluoromethoxy)phenol
SMILESOCc1cc(OC(F)(F)F)ccc1O
InChIInChI=1S/C8H7F3O3/c9-8(10,11)14-6-1-2-7(13)5(3-6)4-12/h1-3,12-13H,4H2
InChIKeyOTEPOBZTTWZMFK-UHFFFAOYSA-N
XLogP1.78
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.13
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-4-(trifluoromethoxy)phenol?
The IUPAC name of 2-(hydroxymethyl)-4-(trifluoromethoxy)phenol (CID 11694149) is 2-(hydroxymethyl)-4-(trifluoromethoxy)phenol.
What is the SMILES notation for 2-(hydroxymethyl)-4-(trifluoromethoxy)phenol?
The canonical SMILES for 2-(hydroxymethyl)-4-(trifluoromethoxy)phenol is OCc1cc(OC(F)(F)F)ccc1O.
What is the InChIKey of 2-(hydroxymethyl)-4-(trifluoromethoxy)phenol?
The InChIKey is OTEPOBZTTWZMFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3O3/c9-8(10,11)14-6-1-2-7(13)5(3-6)4-12/h1-3,12-13H,4H2.
What are the key properties of 2-(hydroxymethyl)-4-(trifluoromethoxy)phenol?
2-(hydroxymethyl)-4-(trifluoromethoxy)phenol has a molecular weight of 208.13 g/mol, XLogP of 1.78, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-4-(trifluoromethoxy)phenol is sourced from PubChem (CID 11694149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).