2-methoxy-10-(4-propan-2-ylphenyl)phenothiazine

C22H21NOS — CID 58293895

IUPAC2-methoxy-10-(4-propan-2-ylphenyl)phenothiazine
SMILESCOc1ccc2c(c1)N(c1ccc(C(C)C)cc1)c1ccccc1S2
InChIInChI=1S/C22H21NOS/c1-15(2)16-8-10-17(11-9-16)23-19-6-4-5-7-21(19)25-22-13-12-18(24-3)14-20(22)23/h4-15H,1-3H3
InChIKeyFRJLDBUUZIBQJV-UHFFFAOYSA-N
MW347.48 g/mol
LogP6.75
Rot. Bonds3

About 2-methoxy-10-(4-propan-2-ylphenyl)phenothiazine

2-methoxy-10-(4-propan-2-ylphenyl)phenothiazine (PubChem CID 58293895) has the molecular formula C22H21NOS and a molecular weight of 347.48 g/mol. Its IUPAC name is 2-methoxy-10-(4-propan-2-ylphenyl)phenothiazine.

Molecular Properties

Compound Name2-methoxy-10-(4-propan-2-ylphenyl)phenothiazine
PubChem CID58293895
Molecular FormulaC22H21NOS
Molecular Weight347.48 g/mol
Exact Mass347.13
IUPAC Name2-methoxy-10-(4-propan-2-ylphenyl)phenothiazine
SMILESCOc1ccc2c(c1)N(c1ccc(C(C)C)cc1)c1ccccc1S2
InChIInChI=1S/C22H21NOS/c1-15(2)16-8-10-17(11-9-16)23-19-6-4-5-7-21(19)25-22-13-12-18(24-3)14-20(22)23/h4-15H,1-3H3
InChIKeyFRJLDBUUZIBQJV-UHFFFAOYSA-N
XLogP6.75
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.48
LogP ≤ 56.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-10-(4-propan-2-ylphenyl)phenothiazine?
The IUPAC name of 2-methoxy-10-(4-propan-2-ylphenyl)phenothiazine (CID 58293895) is 2-methoxy-10-(4-propan-2-ylphenyl)phenothiazine.
What is the SMILES notation for 2-methoxy-10-(4-propan-2-ylphenyl)phenothiazine?
The canonical SMILES for 2-methoxy-10-(4-propan-2-ylphenyl)phenothiazine is COc1ccc2c(c1)N(c1ccc(C(C)C)cc1)c1ccccc1S2.
What is the InChIKey of 2-methoxy-10-(4-propan-2-ylphenyl)phenothiazine?
The InChIKey is FRJLDBUUZIBQJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NOS/c1-15(2)16-8-10-17(11-9-16)23-19-6-4-5-7-21(19)25-22-13-12-18(24-3)14-20(22)23/h4-15H,1-3H3.
What are the key properties of 2-methoxy-10-(4-propan-2-ylphenyl)phenothiazine?
2-methoxy-10-(4-propan-2-ylphenyl)phenothiazine has a molecular weight of 347.48 g/mol, XLogP of 6.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-10-(4-propan-2-ylphenyl)phenothiazine is sourced from PubChem (CID 58293895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).