2-(4-methoxyphenoxy)-1-phenothiazin-10-ylethanone

C21H17NO3S — CID 607829

IUPAC2-(4-methoxyphenoxy)-1-phenothiazin-10-ylethanone
SMILESCOc1ccc(OCC(=O)N2c3ccccc3Sc3ccccc32)cc1
InChIInChI=1S/C21H17NO3S/c1-24-15-10-12-16(13-11-15)25-14-21(23)22-17-6-2-4-8-19(17)26-20-9-5-3-7-18(20)22/h2-13H,14H2,1H3
InChIKeyKVBXPCNSNDYNJQ-UHFFFAOYSA-N
MW363.44 g/mol
LogP4.90
Rot. Bonds4

About 2-(4-methoxyphenoxy)-1-phenothiazin-10-ylethanone

2-(4-methoxyphenoxy)-1-phenothiazin-10-ylethanone (PubChem CID 607829) has the molecular formula C21H17NO3S and a molecular weight of 363.44 g/mol. Its IUPAC name is 2-(4-methoxyphenoxy)-1-phenothiazin-10-ylethanone.

Molecular Properties

Compound Name2-(4-methoxyphenoxy)-1-phenothiazin-10-ylethanone
PubChem CID607829
Molecular FormulaC21H17NO3S
Molecular Weight363.44 g/mol
Exact Mass363.09
IUPAC Name2-(4-methoxyphenoxy)-1-phenothiazin-10-ylethanone
SMILESCOc1ccc(OCC(=O)N2c3ccccc3Sc3ccccc32)cc1
InChIInChI=1S/C21H17NO3S/c1-24-15-10-12-16(13-11-15)25-14-21(23)22-17-6-2-4-8-19(17)26-20-9-5-3-7-18(20)22/h2-13H,14H2,1H3
InChIKeyKVBXPCNSNDYNJQ-UHFFFAOYSA-N
XLogP4.90
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

10H-Phenothiazine, 10-(phenoxyacetyl)-
CID 667799
Phenyl 10H-phenothiazine-10-carboxylate
CID 3773589
4-methoxyphenyl 10H-phenothiazine-10-carboxylate
CID 24905597
N-(2-ethoxyphenyl)-10H-phenothiazine-10-carboxamide
CID 1072458
10H-Phenothiazine, 10-((2-nitrophenoxy)acetyl)-
CID 1371806
2-(3-Fluorophenoxy)-1-phenothiazin-10-ylethan-1-one
CID 4614316
10H-Phenothiazine, 10-((4-methylphenoxy)acetyl)-
CID 2112185
10H-Phenothiazine, 10-((4-nitrophenoxy)acetyl)-
CID 2401625
10H-Phenothiazine, 10-((2-methylphenoxy)acetyl)-
CID 3038598
10H-Phenothiazine, 10-((3-nitrophenoxy)acetyl)-
CID 3078035
10H-Phenothiazine, 10-((2,4-dibromophenoxy)acetyl)-
CID 3078037
10H-Phenothiazine, 10-((2,4,6-tribromophenoxy)acetyl)-
CID 3078038

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenoxy)-1-phenothiazin-10-ylethanone?
The IUPAC name of 2-(4-methoxyphenoxy)-1-phenothiazin-10-ylethanone (CID 607829) is 2-(4-methoxyphenoxy)-1-phenothiazin-10-ylethanone.
What is the SMILES notation for 2-(4-methoxyphenoxy)-1-phenothiazin-10-ylethanone?
The canonical SMILES for 2-(4-methoxyphenoxy)-1-phenothiazin-10-ylethanone is COc1ccc(OCC(=O)N2c3ccccc3Sc3ccccc32)cc1.
What is the InChIKey of 2-(4-methoxyphenoxy)-1-phenothiazin-10-ylethanone?
The InChIKey is KVBXPCNSNDYNJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO3S/c1-24-15-10-12-16(13-11-15)25-14-21(23)22-17-6-2-4-8-19(17)26-20-9-5-3-7-18(20)22/h2-13H,14H2,1H3.
What are the key properties of 2-(4-methoxyphenoxy)-1-phenothiazin-10-ylethanone?
2-(4-methoxyphenoxy)-1-phenothiazin-10-ylethanone has a molecular weight of 363.44 g/mol, XLogP of 4.90, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenoxy)-1-phenothiazin-10-ylethanone is sourced from PubChem (CID 607829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).