[5-chloro-2-(trifluoromethoxy)phenyl]methanol

C8H6ClF3O2 — CID 57368624

IUPAC[5-chloro-2-(trifluoromethoxy)phenyl]methanol
SMILESOCc1cc(Cl)ccc1OC(F)(F)F
InChIInChI=1S/C8H6ClF3O2/c9-6-1-2-7(5(3-6)4-13)14-8(10,11)12/h1-3,13H,4H2
InChIKeyJIVPVUAGDRWIBR-UHFFFAOYSA-N
MW226.58 g/mol
LogP2.73
Rot. Bonds2

About [5-chloro-2-(trifluoromethoxy)phenyl]methanol

[5-chloro-2-(trifluoromethoxy)phenyl]methanol (PubChem CID 57368624) has the molecular formula C8H6ClF3O2 and a molecular weight of 226.58 g/mol. Its IUPAC name is [5-chloro-2-(trifluoromethoxy)phenyl]methanol.

Molecular Properties

Compound Name[5-chloro-2-(trifluoromethoxy)phenyl]methanol
PubChem CID57368624
Molecular FormulaC8H6ClF3O2
Molecular Weight226.58 g/mol
Exact Mass226.00
IUPAC Name[5-chloro-2-(trifluoromethoxy)phenyl]methanol
SMILESOCc1cc(Cl)ccc1OC(F)(F)F
InChIInChI=1S/C8H6ClF3O2/c9-6-1-2-7(5(3-6)4-13)14-8(10,11)12/h1-3,13H,4H2
InChIKeyJIVPVUAGDRWIBR-UHFFFAOYSA-N
XLogP2.73
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.58
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [5-chloro-2-(trifluoromethoxy)phenyl]methanol 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 [5-chloro-2-(trifluoromethoxy)phenyl]methanol?
The IUPAC name of [5-chloro-2-(trifluoromethoxy)phenyl]methanol (CID 57368624) is [5-chloro-2-(trifluoromethoxy)phenyl]methanol.
What is the SMILES notation for [5-chloro-2-(trifluoromethoxy)phenyl]methanol?
The canonical SMILES for [5-chloro-2-(trifluoromethoxy)phenyl]methanol is OCc1cc(Cl)ccc1OC(F)(F)F.
What is the InChIKey of [5-chloro-2-(trifluoromethoxy)phenyl]methanol?
The InChIKey is JIVPVUAGDRWIBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClF3O2/c9-6-1-2-7(5(3-6)4-13)14-8(10,11)12/h1-3,13H,4H2.
What are the key properties of [5-chloro-2-(trifluoromethoxy)phenyl]methanol?
[5-chloro-2-(trifluoromethoxy)phenyl]methanol has a molecular weight of 226.58 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-(trifluoromethoxy)phenyl]methanol is sourced from PubChem (CID 57368624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).