4-chloro-2-(2-hydroxyethyl)-6-(trifluoromethyl)phenol

C9H8ClF3O2 — CID 117353847

IUPAC4-chloro-2-(2-hydroxyethyl)-6-(trifluoromethyl)phenol
SMILESOCCc1cc(Cl)cc(C(F)(F)F)c1O
InChIInChI=1S/C9H8ClF3O2/c10-6-3-5(1-2-14)8(15)7(4-6)9(11,12)13/h3-4,14-15H,1-2H2
InChIKeyXNUHJLFXHGSCLW-UHFFFAOYSA-N
MW240.61 g/mol
LogP2.60
Rot. Bonds2

About 4-chloro-2-(2-hydroxyethyl)-6-(trifluoromethyl)phenol

4-chloro-2-(2-hydroxyethyl)-6-(trifluoromethyl)phenol (PubChem CID 117353847) has the molecular formula C9H8ClF3O2 and a molecular weight of 240.61 g/mol. Its IUPAC name is 4-chloro-2-(2-hydroxyethyl)-6-(trifluoromethyl)phenol.

Molecular Properties

Compound Name4-chloro-2-(2-hydroxyethyl)-6-(trifluoromethyl)phenol
PubChem CID117353847
Molecular FormulaC9H8ClF3O2
Molecular Weight240.61 g/mol
Exact Mass240.02
IUPAC Name4-chloro-2-(2-hydroxyethyl)-6-(trifluoromethyl)phenol
SMILESOCCc1cc(Cl)cc(C(F)(F)F)c1O
InChIInChI=1S/C9H8ClF3O2/c10-6-3-5(1-2-14)8(15)7(4-6)9(11,12)13/h3-4,14-15H,1-2H2
InChIKeyXNUHJLFXHGSCLW-UHFFFAOYSA-N
XLogP2.60
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.61
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-aminopropyl)-4-chloro-6-(trifluoromethyl)phenol
CID 117386940
2-bromo-4-chloro-6-(2-hydroxyethyl)phenol
CID 25225387
2-(2-amino-1-hydroxyethyl)-4-chloro-6-(trifluoromethyl)phenol
CID 84708628
2-(hydroxymethyl)-6-(trifluoromethyl)benzene-1,4-diol
CID 84675777
2-(hydroxymethyl)-4,6-bis(trifluoromethyl)phenol
CID 134638836
[5-chloro-2-(trifluoromethyl)phenyl]methanol
CID 2778112
3-(3-tert-butyl-5-chloro-2-hydroxyphenyl)propanoic acid
CID 117395317
2-(1-aminopropan-2-yl)-4-chloro-6-(trifluoromethyl)phenol
CID 117386945
4-chloro-2-(chloromethyl)-6-(trifluoromethyl)aniline
CID 119021391
3-amino-3-[5-chloro-2-hydroxy-3-(trifluoromethyl)phenyl]propanoic acid
CID 117455854
2-[1-(aminomethyl)cyclobutyl]-4-chloro-6-(trifluoromethyl)phenol
CID 117448625
ethyl 2-[5-chloro-2-hydroxy-3-(trifluoromethyl)phenyl]-2-hydroxyacetate
CID 117481023

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2-hydroxyethyl)-6-(trifluoromethyl)phenol?
The IUPAC name of 4-chloro-2-(2-hydroxyethyl)-6-(trifluoromethyl)phenol (CID 117353847) is 4-chloro-2-(2-hydroxyethyl)-6-(trifluoromethyl)phenol.
What is the SMILES notation for 4-chloro-2-(2-hydroxyethyl)-6-(trifluoromethyl)phenol?
The canonical SMILES for 4-chloro-2-(2-hydroxyethyl)-6-(trifluoromethyl)phenol is OCCc1cc(Cl)cc(C(F)(F)F)c1O.
What is the InChIKey of 4-chloro-2-(2-hydroxyethyl)-6-(trifluoromethyl)phenol?
The InChIKey is XNUHJLFXHGSCLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClF3O2/c10-6-3-5(1-2-14)8(15)7(4-6)9(11,12)13/h3-4,14-15H,1-2H2.
What are the key properties of 4-chloro-2-(2-hydroxyethyl)-6-(trifluoromethyl)phenol?
4-chloro-2-(2-hydroxyethyl)-6-(trifluoromethyl)phenol has a molecular weight of 240.61 g/mol, XLogP of 2.60, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2-hydroxyethyl)-6-(trifluoromethyl)phenol is sourced from PubChem (CID 117353847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).