10-[2-(4-methylphenoxy)ethyl]phenoxazine

C21H19NO2 — CID 123668404

IUPAC10-[2-(4-methylphenoxy)ethyl]phenoxazine
SMILESCc1ccc(OCCN2c3ccccc3Oc3ccccc32)cc1
InChIInChI=1S/C21H19NO2/c1-16-10-12-17(13-11-16)23-15-14-22-18-6-2-4-8-20(18)24-21-9-5-3-7-19(21)22/h2-13H,14-15H2,1H3
InChIKeyIMIXUKXVADEWPE-UHFFFAOYSA-N
MW317.39 g/mol
LogP5.32
Rot. Bonds4

About 10-[2-(4-methylphenoxy)ethyl]phenoxazine

10-[2-(4-methylphenoxy)ethyl]phenoxazine (PubChem CID 123668404) has the molecular formula C21H19NO2 and a molecular weight of 317.39 g/mol. Its IUPAC name is 10-[2-(4-methylphenoxy)ethyl]phenoxazine.

Molecular Properties

Compound Name10-[2-(4-methylphenoxy)ethyl]phenoxazine
PubChem CID123668404
Molecular FormulaC21H19NO2
Molecular Weight317.39 g/mol
Exact Mass317.14
IUPAC Name10-[2-(4-methylphenoxy)ethyl]phenoxazine
SMILESCc1ccc(OCCN2c3ccccc3Oc3ccccc32)cc1
InChIInChI=1S/C21H19NO2/c1-16-10-12-17(13-11-16)23-15-14-22-18-6-2-4-8-20(18)24-21-9-5-3-7-19(21)22/h2-13H,14-15H2,1H3
InChIKeyIMIXUKXVADEWPE-UHFFFAOYSA-N
XLogP5.32
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.39
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_666_B(3)', 'substructure': 'N/A'}

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Related Compounds

methyl 3-[4-(2-phenoxazin-10-ylethoxy)phenyl]oxirane-2-carboxylate
CID 10272505
(2S)-2-hydroxy-3-[4-(2-phenoxazin-10-ylethoxy)phenyl]propanoic acid
CID 11223055
(2S)-2-ethoxy-3-[4-(2-phenoxazin-10-ylethoxy)phenyl]propanoate
CID 59905798
ethyl 2-[3-[4-(2-phenoxazin-10-ylethoxy)phenyl]butoxy]propanoate
CID 142646597
2-butoxy-2-[4-(2-phenoxazin-10-ylethoxy)phenyl]propanoic acid
CID 70299031
5-[[4-(2-phenoxazin-10-ylethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 54414745
1-[2-(4-methylphenoxy)ethyl]pyrrole
CID 70911125
3-[4-(2-phenoxazin-10-ylethoxy)phenyl]-2-phenoxypropanoate
CID 18172360
CID 70035327
CID 70035327
propan-2-yl 2-[tert-butyl(dimethyl)-λ4-sulfanyl]oxy-3-[4-(2-phenoxazin-10-ylethoxy)phenyl]propanoate
CID 142223958
N,N-dimethyl-4-[2-(4-methylphenoxy)ethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 51110693
10-(4-octoxyphenyl)phenoxazine
CID 58274116

Frequently Asked Questions

What is the IUPAC name of 10-[2-(4-methylphenoxy)ethyl]phenoxazine?
The IUPAC name of 10-[2-(4-methylphenoxy)ethyl]phenoxazine (CID 123668404) is 10-[2-(4-methylphenoxy)ethyl]phenoxazine.
What is the SMILES notation for 10-[2-(4-methylphenoxy)ethyl]phenoxazine?
The canonical SMILES for 10-[2-(4-methylphenoxy)ethyl]phenoxazine is Cc1ccc(OCCN2c3ccccc3Oc3ccccc32)cc1.
What is the InChIKey of 10-[2-(4-methylphenoxy)ethyl]phenoxazine?
The InChIKey is IMIXUKXVADEWPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO2/c1-16-10-12-17(13-11-16)23-15-14-22-18-6-2-4-8-20(18)24-21-9-5-3-7-19(21)22/h2-13H,14-15H2,1H3.
What are the key properties of 10-[2-(4-methylphenoxy)ethyl]phenoxazine?
10-[2-(4-methylphenoxy)ethyl]phenoxazine has a molecular weight of 317.39 g/mol, XLogP of 5.32, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[2-(4-methylphenoxy)ethyl]phenoxazine is sourced from PubChem (CID 123668404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).