1-nonyl-10H-phenoxazine

C21H27NO — CID 90978592

IUPAC1-nonyl-10H-phenoxazine
SMILESCCCCCCCCCc1cccc2c1Nc1ccccc1O2
InChIInChI=1S/C21H27NO/c1-2-3-4-5-6-7-8-12-17-13-11-16-20-21(17)22-18-14-9-10-15-19(18)23-20/h9-11,13-16,22H,2-8,12H2,1H3
InChIKeyLCPLNMKMCURCDV-UHFFFAOYSA-N
MW309.45 g/mol
LogP6.83
Rot. Bonds8

About 1-nonyl-10H-phenoxazine

1-nonyl-10H-phenoxazine (PubChem CID 90978592) has the molecular formula C21H27NO and a molecular weight of 309.45 g/mol. Its IUPAC name is 1-nonyl-10H-phenoxazine.

Molecular Properties

Compound Name1-nonyl-10H-phenoxazine
PubChem CID90978592
Molecular FormulaC21H27NO
Molecular Weight309.45 g/mol
Exact Mass309.21
IUPAC Name1-nonyl-10H-phenoxazine
SMILESCCCCCCCCCc1cccc2c1Nc1ccccc1O2
InChIInChI=1S/C21H27NO/c1-2-3-4-5-6-7-8-12-17-13-11-16-20-21(17)22-18-14-9-10-15-19(18)23-20/h9-11,13-16,22H,2-8,12H2,1H3
InChIKeyLCPLNMKMCURCDV-UHFFFAOYSA-N
XLogP6.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.45
LogP ≤ 56.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-nonyl-10H-phenoxazine?
The IUPAC name of 1-nonyl-10H-phenoxazine (CID 90978592) is 1-nonyl-10H-phenoxazine.
What is the SMILES notation for 1-nonyl-10H-phenoxazine?
The canonical SMILES for 1-nonyl-10H-phenoxazine is CCCCCCCCCc1cccc2c1Nc1ccccc1O2.
What is the InChIKey of 1-nonyl-10H-phenoxazine?
The InChIKey is LCPLNMKMCURCDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO/c1-2-3-4-5-6-7-8-12-17-13-11-16-20-21(17)22-18-14-9-10-15-19(18)23-20/h9-11,13-16,22H,2-8,12H2,1H3.
What are the key properties of 1-nonyl-10H-phenoxazine?
1-nonyl-10H-phenoxazine has a molecular weight of 309.45 g/mol, XLogP of 6.83, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-nonyl-10H-phenoxazine is sourced from PubChem (CID 90978592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).