4-[(4-chlorophenoxy)methyl]-2-(trifluoromethyl)phenol

C14H10ClF3O2 — CID 117220430

IUPAC4-[(4-chlorophenoxy)methyl]-2-(trifluoromethyl)phenol
SMILESOc1ccc(COc2ccc(Cl)cc2)cc1C(F)(F)F
InChIInChI=1S/C14H10ClF3O2/c15-10-2-4-11(5-3-10)20-8-9-1-6-13(19)12(7-9)14(16,17)18/h1-7,19H,8H2
InChIKeyBZDNFLIPZGVPAW-UHFFFAOYSA-N
MW302.68 g/mol
LogP4.64
Rot. Bonds3

About 4-[(4-chlorophenoxy)methyl]-2-(trifluoromethyl)phenol

4-[(4-chlorophenoxy)methyl]-2-(trifluoromethyl)phenol (PubChem CID 117220430) has the molecular formula C14H10ClF3O2 and a molecular weight of 302.68 g/mol. Its IUPAC name is 4-[(4-chlorophenoxy)methyl]-2-(trifluoromethyl)phenol.

Molecular Properties

Compound Name4-[(4-chlorophenoxy)methyl]-2-(trifluoromethyl)phenol
PubChem CID117220430
Molecular FormulaC14H10ClF3O2
Molecular Weight302.68 g/mol
Exact Mass302.03
IUPAC Name4-[(4-chlorophenoxy)methyl]-2-(trifluoromethyl)phenol
SMILESOc1ccc(COc2ccc(Cl)cc2)cc1C(F)(F)F
InChIInChI=1S/C14H10ClF3O2/c15-10-2-4-11(5-3-10)20-8-9-1-6-13(19)12(7-9)14(16,17)18/h1-7,19H,8H2
InChIKeyBZDNFLIPZGVPAW-UHFFFAOYSA-N
XLogP4.64
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.68
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[(4-chlorophenoxy)methyl]-2-(trifluoromethyl)phenol with MolForge

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

Launch Full Analysis

Related Compounds

4-[(4-chlorophenyl)methoxy]benzene-1,2-diol
CID 139941742
4-[(4-chlorophenyl)methoxy]-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol
CID 137183395
3-chloro-5-[[4-fluoro-3-(trifluoromethyl)phenyl]methoxy]benzaldehyde
CID 122476454
2-amino-5-[[4-(trifluoromethyl)phenoxy]methyl]phenol
CID 117220491
4-[(hydroxyamino)methyl]-2-(trifluoromethyl)phenol
CID 117295399
ethane;4-ethyl-2-(trifluoromethyl)phenol
CID 143680036
[4-[(4-chlorophenyl)methoxy]phenyl] hydrogen carbonate
CID 146594775
5-[(4-chlorophenyl)methoxy]-2-[4-[3-chloro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol
CID 137183413
3-[[4-amino-3-(trifluoromethyl)phenyl]methoxy]phenol
CID 117220304
4-[(3,5-dichlorophenyl)methoxy]phenol
CID 54406351
5-[(2-fluorophenoxy)methyl]-2-(trifluoromethyl)phenol
CID 117221704
4-[(4-fluorophenoxy)methyl]-2-methylphenol
CID 117220443

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenoxy)methyl]-2-(trifluoromethyl)phenol?
The IUPAC name of 4-[(4-chlorophenoxy)methyl]-2-(trifluoromethyl)phenol (CID 117220430) is 4-[(4-chlorophenoxy)methyl]-2-(trifluoromethyl)phenol.
What is the SMILES notation for 4-[(4-chlorophenoxy)methyl]-2-(trifluoromethyl)phenol?
The canonical SMILES for 4-[(4-chlorophenoxy)methyl]-2-(trifluoromethyl)phenol is Oc1ccc(COc2ccc(Cl)cc2)cc1C(F)(F)F.
What is the InChIKey of 4-[(4-chlorophenoxy)methyl]-2-(trifluoromethyl)phenol?
The InChIKey is BZDNFLIPZGVPAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF3O2/c15-10-2-4-11(5-3-10)20-8-9-1-6-13(19)12(7-9)14(16,17)18/h1-7,19H,8H2.
What are the key properties of 4-[(4-chlorophenoxy)methyl]-2-(trifluoromethyl)phenol?
4-[(4-chlorophenoxy)methyl]-2-(trifluoromethyl)phenol has a molecular weight of 302.68 g/mol, XLogP of 4.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenoxy)methyl]-2-(trifluoromethyl)phenol is sourced from PubChem (CID 117220430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).