10-(2,6-dimethoxy-4-methylphenyl)phenothiazine

C21H19NO2S — CID 59572271

IUPAC10-(2,6-dimethoxy-4-methylphenyl)phenothiazine
SMILESCOc1cc(C)cc(OC)c1N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C21H19NO2S/c1-14-12-17(23-2)21(18(13-14)24-3)22-15-8-4-6-10-19(15)25-20-11-7-5-9-16(20)22/h4-13H,1-3H3
InChIKeyFOBFWJIBIQOZIJ-UHFFFAOYSA-N
MW349.46 g/mol
LogP5.95
Rot. Bonds3

About 10-(2,6-dimethoxy-4-methylphenyl)phenothiazine

10-(2,6-dimethoxy-4-methylphenyl)phenothiazine (PubChem CID 59572271) has the molecular formula C21H19NO2S and a molecular weight of 349.46 g/mol. Its IUPAC name is 10-(2,6-dimethoxy-4-methylphenyl)phenothiazine.

Molecular Properties

Compound Name10-(2,6-dimethoxy-4-methylphenyl)phenothiazine
PubChem CID59572271
Molecular FormulaC21H19NO2S
Molecular Weight349.46 g/mol
Exact Mass349.11
IUPAC Name10-(2,6-dimethoxy-4-methylphenyl)phenothiazine
SMILESCOc1cc(C)cc(OC)c1N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C21H19NO2S/c1-14-12-17(23-2)21(18(13-14)24-3)22-15-8-4-6-10-19(15)25-20-11-7-5-9-16(20)22/h4-13H,1-3H3
InChIKeyFOBFWJIBIQOZIJ-UHFFFAOYSA-N
XLogP5.95
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.46
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-10-(2-methoxyphenyl)phenothiazine
CID 13267548
10-[4-(2,5-dimethyl-4-phenothiazin-10-ylphenyl)-2,5-dimethylphenyl]phenothiazine
CID 102590349
dimethyl 2-phenothiazin-10-ylbenzene-1,3-dicarboxylate
CID 169083583
10-(1,3,4,5,6,8-hexafluoro-7-phenothiazin-10-ylnaphthalen-2-yl)phenothiazine
CID 177493168
9-(2,6-dimethoxy-4-methylphenyl)furo[3,2-b][1,4]benzothiazine 4-oxide
CID 59572347
2-(2-methoxyphenyl)-6-methyl-9-thia-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene
CID 59572656
10-(2,6-ditert-butyl-10-phenothiazin-10-ylanthracen-9-yl)phenothiazine
CID 24814670
N-(4-chloro-2-methoxy-5-methylphenyl)phenothiazine-10-carboxamide
CID 22331415
1-(12,13-dimethyl-2,9-dithia-16-azatetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3,5,7,10(15),11,13,17,19-nonaen-16-yl)ethanone
CID 11794003
3-methoxy-10-methylphenothiazine
CID 18761115
9-(4-tert-butyl-2,6-dimethylphenyl)-2-methylfuro[3,2-b][1,4]benzothiazine
CID 59572687
5-(2,6-dimethoxy-4-methylphenyl)-[1]benzofuro[2,3-b][4,1]benzoxazepin-12-one
CID 59573157

Frequently Asked Questions

What is the IUPAC name of 10-(2,6-dimethoxy-4-methylphenyl)phenothiazine?
The IUPAC name of 10-(2,6-dimethoxy-4-methylphenyl)phenothiazine (CID 59572271) is 10-(2,6-dimethoxy-4-methylphenyl)phenothiazine.
What is the SMILES notation for 10-(2,6-dimethoxy-4-methylphenyl)phenothiazine?
The canonical SMILES for 10-(2,6-dimethoxy-4-methylphenyl)phenothiazine is COc1cc(C)cc(OC)c1N1c2ccccc2Sc2ccccc21.
What is the InChIKey of 10-(2,6-dimethoxy-4-methylphenyl)phenothiazine?
The InChIKey is FOBFWJIBIQOZIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO2S/c1-14-12-17(23-2)21(18(13-14)24-3)22-15-8-4-6-10-19(15)25-20-11-7-5-9-16(20)22/h4-13H,1-3H3.
What are the key properties of 10-(2,6-dimethoxy-4-methylphenyl)phenothiazine?
10-(2,6-dimethoxy-4-methylphenyl)phenothiazine has a molecular weight of 349.46 g/mol, XLogP of 5.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(2,6-dimethoxy-4-methylphenyl)phenothiazine is sourced from PubChem (CID 59572271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).