4-bromo-7-(2-hydroxyethyl)-2-methylphenazin-1-ol

C15H13BrN2O2 — CID 161330549

IUPAC4-bromo-7-(2-hydroxyethyl)-2-methylphenazin-1-ol
SMILESCc1cc(Br)c2nc3cc(CCO)ccc3nc2c1O
InChIInChI=1S/C15H13BrN2O2/c1-8-6-10(16)13-14(15(8)20)17-11-3-2-9(4-5-19)7-12(11)18-13/h2-3,6-7,19-20H,4-5H2,1H3
InChIKeyGFKLXLSUVDYWIQ-UHFFFAOYSA-N
MW333.19 g/mol
LogP3.09
Rot. Bonds2

About 4-bromo-7-(2-hydroxyethyl)-2-methylphenazin-1-ol

4-bromo-7-(2-hydroxyethyl)-2-methylphenazin-1-ol (PubChem CID 161330549) has the molecular formula C15H13BrN2O2 and a molecular weight of 333.19 g/mol. Its IUPAC name is 4-bromo-7-(2-hydroxyethyl)-2-methylphenazin-1-ol.

Molecular Properties

Compound Name4-bromo-7-(2-hydroxyethyl)-2-methylphenazin-1-ol
PubChem CID161330549
Molecular FormulaC15H13BrN2O2
Molecular Weight333.19 g/mol
Exact Mass332.02
IUPAC Name4-bromo-7-(2-hydroxyethyl)-2-methylphenazin-1-ol
SMILESCc1cc(Br)c2nc3cc(CCO)ccc3nc2c1O
InChIInChI=1S/C15H13BrN2O2/c1-8-6-10(16)13-14(15(8)20)17-11-3-2-9(4-5-19)7-12(11)18-13/h2-3,6-7,19-20H,4-5H2,1H3
InChIKeyGFKLXLSUVDYWIQ-UHFFFAOYSA-N
XLogP3.09
TPSA66.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.19
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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
4-bromo-6-ethyl-2-methylphenazin-1-ol
CID 158705177
2,4-dimethylphenazin-1-ol;ethane
CID 145233565
7-(bromomethyl)phenazin-1-ol
CID 137281663
4-bromo-2-chlorophenazin-1-ol
CID 137126057
6-(2-chloroethyl)-2,3-dimethylquinoxaline
CID 18436913
2-[3-bromo-4-(methoxymethyl)phenyl]ethanol
CID 117364056
2-[4-[4-[4,6-bis[4-[4-(2-hydroxyethyl)phenyl]-2,5-dimethylphenyl]-1,3,5-triazin-2-yl]-2,5-dimethylphenyl]phenyl]ethanol
CID 155058332
2-(1-ethyl-2-methylbenzimidazol-5-yl)ethanol
CID 82491893
2-bromo-4-(2-hydroxyethyl)benzonitrile
CID 67514555
3-butyl-6-hexyl-2-methylquinoxaline
CID 58269849
2-[4-(6-bromo-2-butyl-5-methylimidazo[4,5-b]pyridin-3-yl)phenyl]ethanol
CID 174452528

Frequently Asked Questions

What is the IUPAC name of 4-bromo-7-(2-hydroxyethyl)-2-methylphenazin-1-ol?
The IUPAC name of 4-bromo-7-(2-hydroxyethyl)-2-methylphenazin-1-ol (CID 161330549) is 4-bromo-7-(2-hydroxyethyl)-2-methylphenazin-1-ol.
What is the SMILES notation for 4-bromo-7-(2-hydroxyethyl)-2-methylphenazin-1-ol?
The canonical SMILES for 4-bromo-7-(2-hydroxyethyl)-2-methylphenazin-1-ol is Cc1cc(Br)c2nc3cc(CCO)ccc3nc2c1O.
What is the InChIKey of 4-bromo-7-(2-hydroxyethyl)-2-methylphenazin-1-ol?
The InChIKey is GFKLXLSUVDYWIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2O2/c1-8-6-10(16)13-14(15(8)20)17-11-3-2-9(4-5-19)7-12(11)18-13/h2-3,6-7,19-20H,4-5H2,1H3.
What are the key properties of 4-bromo-7-(2-hydroxyethyl)-2-methylphenazin-1-ol?
4-bromo-7-(2-hydroxyethyl)-2-methylphenazin-1-ol has a molecular weight of 333.19 g/mol, XLogP of 3.09, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-7-(2-hydroxyethyl)-2-methylphenazin-1-ol is sourced from PubChem (CID 161330549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).