3-methyl-2-phenothiazin-10-yl-6-propan-2-ylphenol

C22H21NOS — CID 135066532

IUPAC3-methyl-2-phenothiazin-10-yl-6-propan-2-ylphenol
SMILESCc1ccc(C(C)C)c(O)c1N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C22H21NOS/c1-14(2)16-13-12-15(3)21(22(16)24)23-17-8-4-6-10-19(17)25-20-11-7-5-9-18(20)23/h4-14,24H,1-3H3
InChIKeyUZFDMIPLJIAVNN-UHFFFAOYSA-N
MW347.48 g/mol
LogP6.76
Rot. Bonds2

About 3-methyl-2-phenothiazin-10-yl-6-propan-2-ylphenol

3-methyl-2-phenothiazin-10-yl-6-propan-2-ylphenol (PubChem CID 135066532) has the molecular formula C22H21NOS and a molecular weight of 347.48 g/mol. Its IUPAC name is 3-methyl-2-phenothiazin-10-yl-6-propan-2-ylphenol.

Molecular Properties

Compound Name3-methyl-2-phenothiazin-10-yl-6-propan-2-ylphenol
PubChem CID135066532
Molecular FormulaC22H21NOS
Molecular Weight347.48 g/mol
Exact Mass347.13
IUPAC Name3-methyl-2-phenothiazin-10-yl-6-propan-2-ylphenol
SMILESCc1ccc(C(C)C)c(O)c1N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C22H21NOS/c1-14(2)16-13-12-15(3)21(22(16)24)23-17-8-4-6-10-19(17)25-20-11-7-5-9-18(20)23/h4-14,24H,1-3H3
InChIKeyUZFDMIPLJIAVNN-UHFFFAOYSA-N
XLogP6.76
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.48
LogP ≤ 56.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-phenothiazin-10-yl-6-propan-2-ylphenol?
The IUPAC name of 3-methyl-2-phenothiazin-10-yl-6-propan-2-ylphenol (CID 135066532) is 3-methyl-2-phenothiazin-10-yl-6-propan-2-ylphenol.
What is the SMILES notation for 3-methyl-2-phenothiazin-10-yl-6-propan-2-ylphenol?
The canonical SMILES for 3-methyl-2-phenothiazin-10-yl-6-propan-2-ylphenol is Cc1ccc(C(C)C)c(O)c1N1c2ccccc2Sc2ccccc21.
What is the InChIKey of 3-methyl-2-phenothiazin-10-yl-6-propan-2-ylphenol?
The InChIKey is UZFDMIPLJIAVNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NOS/c1-14(2)16-13-12-15(3)21(22(16)24)23-17-8-4-6-10-19(17)25-20-11-7-5-9-18(20)23/h4-14,24H,1-3H3.
What are the key properties of 3-methyl-2-phenothiazin-10-yl-6-propan-2-ylphenol?
3-methyl-2-phenothiazin-10-yl-6-propan-2-ylphenol has a molecular weight of 347.48 g/mol, XLogP of 6.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-phenothiazin-10-yl-6-propan-2-ylphenol is sourced from PubChem (CID 135066532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).