1,2-dimethoxy-4-methyl-8-(trifluoromethyl)-3H-phenothiazin-3-ol

C16H14F3NO3S — CID 123483327

IUPAC1,2-dimethoxy-4-methyl-8-(trifluoromethyl)-3H-phenothiazin-3-ol
SMILESCOC1=C(OC)C(O)C(C)=C2Sc3ccc(C(F)(F)F)cc3N=C12
InChIInChI=1S/C16H14F3NO3S/c1-7-12(21)14(23-3)13(22-2)11-15(7)24-10-5-4-8(16(17,18)19)6-9(10)20-11/h4-6,12,21H,1-3H3
InChIKeyVUYDVTALQOJKMP-UHFFFAOYSA-N
MW357.35 g/mol
LogP4.04
Rot. Bonds2

About 1,2-dimethoxy-4-methyl-8-(trifluoromethyl)-3H-phenothiazin-3-ol

1,2-dimethoxy-4-methyl-8-(trifluoromethyl)-3H-phenothiazin-3-ol (PubChem CID 123483327) has the molecular formula C16H14F3NO3S and a molecular weight of 357.35 g/mol. Its IUPAC name is 1,2-dimethoxy-4-methyl-8-(trifluoromethyl)-3H-phenothiazin-3-ol.

Molecular Properties

Compound Name1,2-dimethoxy-4-methyl-8-(trifluoromethyl)-3H-phenothiazin-3-ol
PubChem CID123483327
Molecular FormulaC16H14F3NO3S
Molecular Weight357.35 g/mol
Exact Mass357.06
IUPAC Name1,2-dimethoxy-4-methyl-8-(trifluoromethyl)-3H-phenothiazin-3-ol
SMILESCOC1=C(OC)C(O)C(C)=C2Sc3ccc(C(F)(F)F)cc3N=C12
InChIInChI=1S/C16H14F3NO3S/c1-7-12(21)14(23-3)13(22-2)11-15(7)24-10-5-4-8(16(17,18)19)6-9(10)20-11/h4-6,12,21H,1-3H3
InChIKeyVUYDVTALQOJKMP-UHFFFAOYSA-N
XLogP4.04
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.35
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethoxy-4-methyl-8-(trifluoromethyl)-3H-phenothiazin-3-ol?
The IUPAC name of 1,2-dimethoxy-4-methyl-8-(trifluoromethyl)-3H-phenothiazin-3-ol (CID 123483327) is 1,2-dimethoxy-4-methyl-8-(trifluoromethyl)-3H-phenothiazin-3-ol.
What is the SMILES notation for 1,2-dimethoxy-4-methyl-8-(trifluoromethyl)-3H-phenothiazin-3-ol?
The canonical SMILES for 1,2-dimethoxy-4-methyl-8-(trifluoromethyl)-3H-phenothiazin-3-ol is COC1=C(OC)C(O)C(C)=C2Sc3ccc(C(F)(F)F)cc3N=C12.
What is the InChIKey of 1,2-dimethoxy-4-methyl-8-(trifluoromethyl)-3H-phenothiazin-3-ol?
The InChIKey is VUYDVTALQOJKMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3NO3S/c1-7-12(21)14(23-3)13(22-2)11-15(7)24-10-5-4-8(16(17,18)19)6-9(10)20-11/h4-6,12,21H,1-3H3.
What are the key properties of 1,2-dimethoxy-4-methyl-8-(trifluoromethyl)-3H-phenothiazin-3-ol?
1,2-dimethoxy-4-methyl-8-(trifluoromethyl)-3H-phenothiazin-3-ol has a molecular weight of 357.35 g/mol, XLogP of 4.04, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethoxy-4-methyl-8-(trifluoromethyl)-3H-phenothiazin-3-ol is sourced from PubChem (CID 123483327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).