4-[8-[4-hydroxy-3-(trifluoromethyl)phenyl]-10-(2-morpholin-4-ylethyl)phenoxazin-2-yl]-2-(trifluoromethyl)phenol

C32H26F6N2O4 — CID 174288599

IUPAC4-[8-[4-hydroxy-3-(trifluoromethyl)phenyl]-10-(2-morpholin-4-ylethyl)phenoxazin-2-yl]-2-(trifluoromethyl)phenol
SMILESOc1ccc(-c2ccc3c(c2)N(CCN2CCOCC2)c2cc(-c4ccc(O)c(C(F)(F)F)c4)ccc2O3)cc1C(F)(F)F
InChIInChI=1S/C32H26F6N2O4/c33-31(34,35)23-15-19(1-5-27(23)41)21-3-7-29-25(17-21)40(10-9-39-11-13-43-14-12-39)26-18-22(4-8-30(26)44-29)20-2-6-28(42)24(16-20)32(36,37)38/h1-8,15-18,41-42H,9-14H2
InChIKeyMTKOVJKHEZCIBB-UHFFFAOYSA-N
MW616.56 g/mol
LogP8.05
Rot. Bonds5

About 4-[8-[4-hydroxy-3-(trifluoromethyl)phenyl]-10-(2-morpholin-4-ylethyl)phenoxazin-2-yl]-2-(trifluoromethyl)phenol

4-[8-[4-hydroxy-3-(trifluoromethyl)phenyl]-10-(2-morpholin-4-ylethyl)phenoxazin-2-yl]-2-(trifluoromethyl)phenol (PubChem CID 174288599) has the molecular formula C32H26F6N2O4 and a molecular weight of 616.56 g/mol. Its IUPAC name is 4-[8-[4-hydroxy-3-(trifluoromethyl)phenyl]-10-(2-morpholin-4-ylethyl)phenoxazin-2-yl]-2-(trifluoromethyl)phenol.

Molecular Properties

Compound Name4-[8-[4-hydroxy-3-(trifluoromethyl)phenyl]-10-(2-morpholin-4-ylethyl)phenoxazin-2-yl]-2-(trifluoromethyl)phenol
PubChem CID174288599
Molecular FormulaC32H26F6N2O4
Molecular Weight616.56 g/mol
Exact Mass616.18
IUPAC Name4-[8-[4-hydroxy-3-(trifluoromethyl)phenyl]-10-(2-morpholin-4-ylethyl)phenoxazin-2-yl]-2-(trifluoromethyl)phenol
SMILESOc1ccc(-c2ccc3c(c2)N(CCN2CCOCC2)c2cc(-c4ccc(O)c(C(F)(F)F)c4)ccc2O3)cc1C(F)(F)F
InChIInChI=1S/C32H26F6N2O4/c33-31(34,35)23-15-19(1-5-27(23)41)21-3-7-29-25(17-21)40(10-9-39-11-13-43-14-12-39)26-18-22(4-8-30(26)44-29)20-2-6-28(42)24(16-20)32(36,37)38/h1-8,15-18,41-42H,9-14H2
InChIKeyMTKOVJKHEZCIBB-UHFFFAOYSA-N
XLogP8.05
TPSA65.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500616.56
LogP ≤ 58.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_666_B(3)', 'substructure': 'N/A'}

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Related Compounds

4-[8-[4-carboxy-3-(trifluoromethyl)phenyl]-10-(2-morpholin-4-ylethyl)phenoxazin-2-yl]-2-(trifluoromethyl)benzoic acid
CID 171073816
2,8-bis(1H-indol-5-yl)-10-(2-morpholin-4-ylethyl)phenoxazine
CID 171073548
4-[7-(1H-indol-5-yl)-10-(2-morpholin-4-ylethyl)phenoxazin-3-yl]-2-(trifluoromethyl)benzoic acid
CID 171073620
2,8-bis(3-methyl-2H-indazol-5-yl)-10-(2-morpholin-4-ylethyl)phenoxazine
CID 171073745
2,2,2-trifluoroethyl 3-[7-(4-methoxycarbonylphenyl)-10-(2-morpholin-4-ylethyl)-8-(trifluoromethyl)phenoxazin-3-yl]benzoate
CID 177251588
4-[8-[4-amino-3-(trifluoromethyl)phenyl]-10-methylphenoxazin-2-yl]-2-(trifluoromethyl)aniline
CID 171073522
6-hydroxy-4-(2-morpholin-4-ylethyl)-1,4-benzoxazin-3-one
CID 82063421
7-(4-fluorophenyl)-1-(2-morpholin-4-ylethyl)-3,4-dihydroquinolin-2-one
CID 175346345
10-(4-pyrrolidin-1-ylbutyl)-2-(trifluoromethyl)phenoxazine
CID 11559847
3-bromo-7-(1H-indol-5-yl)-10-(2-morpholin-4-ylethyl)phenoxazine
CID 171073514
4-[3-[2,4-bis(trifluoromethyl)phenyl]propyl]morpholine
CID 170869353
N-(2-morpholin-4-ylethyl)-4-[4-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 10091411

Frequently Asked Questions

What is the IUPAC name of 4-[8-[4-hydroxy-3-(trifluoromethyl)phenyl]-10-(2-morpholin-4-ylethyl)phenoxazin-2-yl]-2-(trifluoromethyl)phenol?
The IUPAC name of 4-[8-[4-hydroxy-3-(trifluoromethyl)phenyl]-10-(2-morpholin-4-ylethyl)phenoxazin-2-yl]-2-(trifluoromethyl)phenol (CID 174288599) is 4-[8-[4-hydroxy-3-(trifluoromethyl)phenyl]-10-(2-morpholin-4-ylethyl)phenoxazin-2-yl]-2-(trifluoromethyl)phenol.
What is the SMILES notation for 4-[8-[4-hydroxy-3-(trifluoromethyl)phenyl]-10-(2-morpholin-4-ylethyl)phenoxazin-2-yl]-2-(trifluoromethyl)phenol?
The canonical SMILES for 4-[8-[4-hydroxy-3-(trifluoromethyl)phenyl]-10-(2-morpholin-4-ylethyl)phenoxazin-2-yl]-2-(trifluoromethyl)phenol is Oc1ccc(-c2ccc3c(c2)N(CCN2CCOCC2)c2cc(-c4ccc(O)c(C(F)(F)F)c4)ccc2O3)cc1C(F)(F)F.
What is the InChIKey of 4-[8-[4-hydroxy-3-(trifluoromethyl)phenyl]-10-(2-morpholin-4-ylethyl)phenoxazin-2-yl]-2-(trifluoromethyl)phenol?
The InChIKey is MTKOVJKHEZCIBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26F6N2O4/c33-31(34,35)23-15-19(1-5-27(23)41)21-3-7-29-25(17-21)40(10-9-39-11-13-43-14-12-39)26-18-22(4-8-30(26)44-29)20-2-6-28(42)24(16-20)32(36,37)38/h1-8,15-18,41-42H,9-14H2.
What are the key properties of 4-[8-[4-hydroxy-3-(trifluoromethyl)phenyl]-10-(2-morpholin-4-ylethyl)phenoxazin-2-yl]-2-(trifluoromethyl)phenol?
4-[8-[4-hydroxy-3-(trifluoromethyl)phenyl]-10-(2-morpholin-4-ylethyl)phenoxazin-2-yl]-2-(trifluoromethyl)phenol has a molecular weight of 616.56 g/mol, XLogP of 8.05, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-[4-hydroxy-3-(trifluoromethyl)phenyl]-10-(2-morpholin-4-ylethyl)phenoxazin-2-yl]-2-(trifluoromethyl)phenol is sourced from PubChem (CID 174288599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).