4-bromo-6-ethyl-2-methylphenazin-1-ol

C15H13BrN2O — CID 158705177

IUPAC4-bromo-6-ethyl-2-methylphenazin-1-ol
SMILESCCc1cccc2nc3c(O)c(C)cc(Br)c3nc12
InChIInChI=1S/C15H13BrN2O/c1-3-9-5-4-6-11-12(9)18-13-10(16)7-8(2)15(19)14(13)17-11/h4-7,19H,3H2,1-2H3
InChIKeyXPHFRDOKHCMXPX-UHFFFAOYSA-N
MW317.19 g/mol
LogP4.12
Rot. Bonds1

About 4-bromo-6-ethyl-2-methylphenazin-1-ol

4-bromo-6-ethyl-2-methylphenazin-1-ol (PubChem CID 158705177) has the molecular formula C15H13BrN2O and a molecular weight of 317.19 g/mol. Its IUPAC name is 4-bromo-6-ethyl-2-methylphenazin-1-ol.

Molecular Properties

Compound Name4-bromo-6-ethyl-2-methylphenazin-1-ol
PubChem CID158705177
Molecular FormulaC15H13BrN2O
Molecular Weight317.19 g/mol
Exact Mass316.02
IUPAC Name4-bromo-6-ethyl-2-methylphenazin-1-ol
SMILESCCc1cccc2nc3c(O)c(C)cc(Br)c3nc12
InChIInChI=1S/C15H13BrN2O/c1-3-9-5-4-6-11-12(9)18-13-10(16)7-8(2)15(19)14(13)17-11/h4-7,19H,3H2,1-2H3
InChIKeyXPHFRDOKHCMXPX-UHFFFAOYSA-N
XLogP4.12
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.19
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

4-bromo-2,6,8-trimethylphenazin-1-ol
CID 157112481
ethyl 9-bromo-6-hydroxy-7-methylphenazine-2-carboxylate
CID 161070409
2,4-dimethylphenazin-1-ol;ethane
CID 145233565
4-bromo-2-chlorophenazin-1-ol
CID 137126057
[6-(hydroxymethyl)phenazin-1-yl]methanol
CID 44607162
bis(2,6-diethylphenol);1,4-xylene
CID 160641052
2,5-diethyl-1H-imidazo[4,5-b]quinoxaline
CID 67851997
3-ethylbenzene-1,2-diol;3-methylbenzene-1,2-diol
CID 158712110
1-heptylphenazine;hydrochloride
CID 175352325
8-ethyl-3-methylquinolin-2-amine;hydrochloride
CID 43866070
3-methylacridin-4-ol
CID 89346727
(2,4-dibromophenazin-1-yl) butanoate
CID 118201299

Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-ethyl-2-methylphenazin-1-ol?
The IUPAC name of 4-bromo-6-ethyl-2-methylphenazin-1-ol (CID 158705177) is 4-bromo-6-ethyl-2-methylphenazin-1-ol.
What is the SMILES notation for 4-bromo-6-ethyl-2-methylphenazin-1-ol?
The canonical SMILES for 4-bromo-6-ethyl-2-methylphenazin-1-ol is CCc1cccc2nc3c(O)c(C)cc(Br)c3nc12.
What is the InChIKey of 4-bromo-6-ethyl-2-methylphenazin-1-ol?
The InChIKey is XPHFRDOKHCMXPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2O/c1-3-9-5-4-6-11-12(9)18-13-10(16)7-8(2)15(19)14(13)17-11/h4-7,19H,3H2,1-2H3.
What are the key properties of 4-bromo-6-ethyl-2-methylphenazin-1-ol?
4-bromo-6-ethyl-2-methylphenazin-1-ol has a molecular weight of 317.19 g/mol, XLogP of 4.12, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-ethyl-2-methylphenazin-1-ol is sourced from PubChem (CID 158705177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).