1-[4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-ethylphenyl]ethanol

C17H16ClF3O2 — CID 143583602

IUPAC1-[4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-ethylphenyl]ethanol
SMILESCCc1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1C(C)O
InChIInChI=1S/C17H16ClF3O2/c1-3-11-8-13(5-6-14(11)10(2)22)23-16-7-4-12(9-15(16)18)17(19,20)21/h4-10,22H,3H2,1-2H3
InChIKeyQFOXKFXDCNKFRF-UHFFFAOYSA-N
MW344.76 g/mol
LogP5.77
Rot. Bonds4

About 1-[4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-ethylphenyl]ethanol

1-[4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-ethylphenyl]ethanol (PubChem CID 143583602) has the molecular formula C17H16ClF3O2 and a molecular weight of 344.76 g/mol. Its IUPAC name is 1-[4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-ethylphenyl]ethanol.

Molecular Properties

Compound Name1-[4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-ethylphenyl]ethanol
PubChem CID143583602
Molecular FormulaC17H16ClF3O2
Molecular Weight344.76 g/mol
Exact Mass344.08
IUPAC Name1-[4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-ethylphenyl]ethanol
SMILESCCc1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1C(C)O
InChIInChI=1S/C17H16ClF3O2/c1-3-11-8-13(5-6-14(11)10(2)22)23-16-7-4-12(9-15(16)18)17(19,20)21/h4-10,22H,3H2,1-2H3
InChIKeyQFOXKFXDCNKFRF-UHFFFAOYSA-N
XLogP5.77
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.76
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-ethylphenyl]ethanol 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 1-[4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-ethylphenyl]ethanol?
The IUPAC name of 1-[4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-ethylphenyl]ethanol (CID 143583602) is 1-[4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-ethylphenyl]ethanol.
What is the SMILES notation for 1-[4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-ethylphenyl]ethanol?
The canonical SMILES for 1-[4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-ethylphenyl]ethanol is CCc1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1C(C)O.
What is the InChIKey of 1-[4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-ethylphenyl]ethanol?
The InChIKey is QFOXKFXDCNKFRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClF3O2/c1-3-11-8-13(5-6-14(11)10(2)22)23-16-7-4-12(9-15(16)18)17(19,20)21/h4-10,22H,3H2,1-2H3.
What are the key properties of 1-[4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-ethylphenyl]ethanol?
1-[4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-ethylphenyl]ethanol has a molecular weight of 344.76 g/mol, XLogP of 5.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-ethylphenyl]ethanol is sourced from PubChem (CID 143583602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).