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

C20H14F3NOS — CID 122219313

IUPAC4-methyl-2-[2-(trifluoromethyl)phenothiazin-10-yl]phenol
SMILESCc1ccc(O)c(N2c3ccccc3Sc3ccc(C(F)(F)F)cc32)c1
InChIInChI=1S/C20H14F3NOS/c1-12-6-8-17(25)15(10-12)24-14-4-2-3-5-18(14)26-19-9-7-13(11-16(19)24)20(21,22)23/h2-11,25H,1H3
InChIKeyHSFKELSVTMNXBI-UHFFFAOYSA-N
MW373.40 g/mol
LogP6.65
Rot. Bonds1

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

4-methyl-2-[2-(trifluoromethyl)phenothiazin-10-yl]phenol (PubChem CID 122219313) has the molecular formula C20H14F3NOS and a molecular weight of 373.40 g/mol. Its IUPAC name is 4-methyl-2-[2-(trifluoromethyl)phenothiazin-10-yl]phenol.

Molecular Properties

Compound Name4-methyl-2-[2-(trifluoromethyl)phenothiazin-10-yl]phenol
PubChem CID122219313
Molecular FormulaC20H14F3NOS
Molecular Weight373.40 g/mol
Exact Mass373.07
IUPAC Name4-methyl-2-[2-(trifluoromethyl)phenothiazin-10-yl]phenol
SMILESCc1ccc(O)c(N2c3ccccc3Sc3ccc(C(F)(F)F)cc32)c1
InChIInChI=1S/C20H14F3NOS/c1-12-6-8-17(25)15(10-12)24-14-4-2-3-5-18(14)26-19-9-7-13(11-16(19)24)20(21,22)23/h2-11,25H,1H3
InChIKeyHSFKELSVTMNXBI-UHFFFAOYSA-N
XLogP6.65
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.40
LogP ≤ 56.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[2-(trifluoromethyl)phenothiazin-10-yl]phenol?
The IUPAC name of 4-methyl-2-[2-(trifluoromethyl)phenothiazin-10-yl]phenol (CID 122219313) is 4-methyl-2-[2-(trifluoromethyl)phenothiazin-10-yl]phenol.
What is the SMILES notation for 4-methyl-2-[2-(trifluoromethyl)phenothiazin-10-yl]phenol?
The canonical SMILES for 4-methyl-2-[2-(trifluoromethyl)phenothiazin-10-yl]phenol is Cc1ccc(O)c(N2c3ccccc3Sc3ccc(C(F)(F)F)cc32)c1.
What is the InChIKey of 4-methyl-2-[2-(trifluoromethyl)phenothiazin-10-yl]phenol?
The InChIKey is HSFKELSVTMNXBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3NOS/c1-12-6-8-17(25)15(10-12)24-14-4-2-3-5-18(14)26-19-9-7-13(11-16(19)24)20(21,22)23/h2-11,25H,1H3.
What are the key properties of 4-methyl-2-[2-(trifluoromethyl)phenothiazin-10-yl]phenol?
4-methyl-2-[2-(trifluoromethyl)phenothiazin-10-yl]phenol has a molecular weight of 373.40 g/mol, XLogP of 6.65, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[2-(trifluoromethyl)phenothiazin-10-yl]phenol is sourced from PubChem (CID 122219313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).