4-(1-hydroxyethyl)-3-(trifluoromethyl)phenol

C9H9F3O2 — CID 84673833

IUPAC4-(1-hydroxyethyl)-3-(trifluoromethyl)phenol
SMILESCC(O)c1ccc(O)cc1C(F)(F)F
InChIInChI=1S/C9H9F3O2/c1-5(13)7-3-2-6(14)4-8(7)9(10,11)12/h2-5,13-14H,1H3
InChIKeyIVDIRUOLFVWDON-UHFFFAOYSA-N
MW206.16 g/mol
LogP2.46
Rot. Bonds1

About 4-(1-hydroxyethyl)-3-(trifluoromethyl)phenol

4-(1-hydroxyethyl)-3-(trifluoromethyl)phenol (PubChem CID 84673833) has the molecular formula C9H9F3O2 and a molecular weight of 206.16 g/mol. Its IUPAC name is 4-(1-hydroxyethyl)-3-(trifluoromethyl)phenol.

Molecular Properties

Compound Name4-(1-hydroxyethyl)-3-(trifluoromethyl)phenol
PubChem CID84673833
Molecular FormulaC9H9F3O2
Molecular Weight206.16 g/mol
Exact Mass206.06
IUPAC Name4-(1-hydroxyethyl)-3-(trifluoromethyl)phenol
SMILESCC(O)c1ccc(O)cc1C(F)(F)F
InChIInChI=1S/C9H9F3O2/c1-5(13)7-3-2-6(14)4-8(7)9(10,11)12/h2-5,13-14H,1H3
InChIKeyIVDIRUOLFVWDON-UHFFFAOYSA-N
XLogP2.46
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.16
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(1-hydroxyethyl)-3-(trifluoromethyl)phenol?
The IUPAC name of 4-(1-hydroxyethyl)-3-(trifluoromethyl)phenol (CID 84673833) is 4-(1-hydroxyethyl)-3-(trifluoromethyl)phenol.
What is the SMILES notation for 4-(1-hydroxyethyl)-3-(trifluoromethyl)phenol?
The canonical SMILES for 4-(1-hydroxyethyl)-3-(trifluoromethyl)phenol is CC(O)c1ccc(O)cc1C(F)(F)F.
What is the InChIKey of 4-(1-hydroxyethyl)-3-(trifluoromethyl)phenol?
The InChIKey is IVDIRUOLFVWDON-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3O2/c1-5(13)7-3-2-6(14)4-8(7)9(10,11)12/h2-5,13-14H,1H3.
What are the key properties of 4-(1-hydroxyethyl)-3-(trifluoromethyl)phenol?
4-(1-hydroxyethyl)-3-(trifluoromethyl)phenol has a molecular weight of 206.16 g/mol, XLogP of 2.46, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-hydroxyethyl)-3-(trifluoromethyl)phenol is sourced from PubChem (CID 84673833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).