4-tert-butyl-2-[2-(trifluoromethyl)phenothiazin-10-yl]phenol

C23H20F3NOS — CID 122219314

IUPAC4-tert-butyl-2-[2-(trifluoromethyl)phenothiazin-10-yl]phenol
SMILESCC(C)(C)c1ccc(O)c(N2c3ccccc3Sc3ccc(C(F)(F)F)cc32)c1
InChIInChI=1S/C23H20F3NOS/c1-22(2,3)14-8-10-19(28)17(12-14)27-16-6-4-5-7-20(16)29-21-11-9-15(13-18(21)27)23(24,25)26/h4-13,28H,1-3H3
InChIKeyWTEYJWPZAFRMOH-UHFFFAOYSA-N
MW415.48 g/mol
LogP7.64
Rot. Bonds1

About 4-tert-butyl-2-[2-(trifluoromethyl)phenothiazin-10-yl]phenol

4-tert-butyl-2-[2-(trifluoromethyl)phenothiazin-10-yl]phenol (PubChem CID 122219314) has the molecular formula C23H20F3NOS and a molecular weight of 415.48 g/mol. Its IUPAC name is 4-tert-butyl-2-[2-(trifluoromethyl)phenothiazin-10-yl]phenol.

Molecular Properties

Compound Name4-tert-butyl-2-[2-(trifluoromethyl)phenothiazin-10-yl]phenol
PubChem CID122219314
Molecular FormulaC23H20F3NOS
Molecular Weight415.48 g/mol
Exact Mass415.12
IUPAC Name4-tert-butyl-2-[2-(trifluoromethyl)phenothiazin-10-yl]phenol
SMILESCC(C)(C)c1ccc(O)c(N2c3ccccc3Sc3ccc(C(F)(F)F)cc32)c1
InChIInChI=1S/C23H20F3NOS/c1-22(2,3)14-8-10-19(28)17(12-14)27-16-6-4-5-7-20(16)29-21-11-9-15(13-18(21)27)23(24,25)26/h4-13,28H,1-3H3
InChIKeyWTEYJWPZAFRMOH-UHFFFAOYSA-N
XLogP7.64
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.48
LogP ≤ 57.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-tert-butyl-2-[2-(trifluoromethyl)phenothiazin-10-yl]phenol 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 4-tert-butyl-2-[2-(trifluoromethyl)phenothiazin-10-yl]phenol?
The IUPAC name of 4-tert-butyl-2-[2-(trifluoromethyl)phenothiazin-10-yl]phenol (CID 122219314) is 4-tert-butyl-2-[2-(trifluoromethyl)phenothiazin-10-yl]phenol.
What is the SMILES notation for 4-tert-butyl-2-[2-(trifluoromethyl)phenothiazin-10-yl]phenol?
The canonical SMILES for 4-tert-butyl-2-[2-(trifluoromethyl)phenothiazin-10-yl]phenol is CC(C)(C)c1ccc(O)c(N2c3ccccc3Sc3ccc(C(F)(F)F)cc32)c1.
What is the InChIKey of 4-tert-butyl-2-[2-(trifluoromethyl)phenothiazin-10-yl]phenol?
The InChIKey is WTEYJWPZAFRMOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3NOS/c1-22(2,3)14-8-10-19(28)17(12-14)27-16-6-4-5-7-20(16)29-21-11-9-15(13-18(21)27)23(24,25)26/h4-13,28H,1-3H3.
What are the key properties of 4-tert-butyl-2-[2-(trifluoromethyl)phenothiazin-10-yl]phenol?
4-tert-butyl-2-[2-(trifluoromethyl)phenothiazin-10-yl]phenol has a molecular weight of 415.48 g/mol, XLogP of 7.64, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-[2-(trifluoromethyl)phenothiazin-10-yl]phenol is sourced from PubChem (CID 122219314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).