4-(3-methylbut-2-enyl)phenazin-1-ol

C17H16N2O — CID 163108134

IUPAC4-(3-methylbut-2-enyl)phenazin-1-ol
SMILESCC(C)=CCc1ccc(O)c2nc3ccccc3nc12
InChIInChI=1S/C17H16N2O/c1-11(2)7-8-12-9-10-15(20)17-16(12)18-13-5-3-4-6-14(13)19-17/h3-7,9-10,20H,8H2,1-2H3
InChIKeyDCPGJTYJDDAAMX-UHFFFAOYSA-N
MW264.33 g/mol
LogP4.00
Rot. Bonds2

About 4-(3-methylbut-2-enyl)phenazin-1-ol

4-(3-methylbut-2-enyl)phenazin-1-ol (PubChem CID 163108134) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is 4-(3-methylbut-2-enyl)phenazin-1-ol.

Molecular Properties

Compound Name4-(3-methylbut-2-enyl)phenazin-1-ol
PubChem CID163108134
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC Name4-(3-methylbut-2-enyl)phenazin-1-ol
SMILESCC(C)=CCc1ccc(O)c2nc3ccccc3nc12
InChIInChI=1S/C17H16N2O/c1-11(2)7-8-12-9-10-15(20)17-16(12)18-13-5-3-4-6-14(13)19-17/h3-7,9-10,20H,8H2,1-2H3
InChIKeyDCPGJTYJDDAAMX-UHFFFAOYSA-N
XLogP4.00
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(3-methylbut-2-enyl)phenazin-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3-methylpent-2-enyl)phenazine-1,6-diol
CID 136933100
1-(4-hydroxyphenazin-1-yl)ethanone
CID 167616739
4-(hydroxymethyl)-2-(3-methylbut-2-enyl)phenol
CID 102202688
1-aminophenazin-2-ol
CID 136672277
quinoxalino[2,3-b]phenazine-6,13-diol
CID 139171720
4-methoxy-2-(3-methylbut-2-enyl)phenol
CID 11819902
4-ethenyl-2-(3-methylbut-2-enyl)phenol
CID 101116334
1-(3-methylbut-2-enyl)-2-benzofuran
CID 174917963
phenazine-1,2,3-triol
CID 163378643
4-methoxy-3-(3-methylbut-2-enyl)phenol
CID 101027686
2-[(2E)-3,7-dimethylocta-2,6-dienyl]naphthalene-1,4-diol
CID 56928124
2-(3-methylbut-2-enyl)phenol;2-(3-methylbut-3-enyl)phenol;4-(3-methylbut-2-enyl)phenol;4-(3-methylbut-3-enyl)phenol
CID 157432582

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylbut-2-enyl)phenazin-1-ol?
The IUPAC name of 4-(3-methylbut-2-enyl)phenazin-1-ol (CID 163108134) is 4-(3-methylbut-2-enyl)phenazin-1-ol.
What is the SMILES notation for 4-(3-methylbut-2-enyl)phenazin-1-ol?
The canonical SMILES for 4-(3-methylbut-2-enyl)phenazin-1-ol is CC(C)=CCc1ccc(O)c2nc3ccccc3nc12.
What is the InChIKey of 4-(3-methylbut-2-enyl)phenazin-1-ol?
The InChIKey is DCPGJTYJDDAAMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/c1-11(2)7-8-12-9-10-15(20)17-16(12)18-13-5-3-4-6-14(13)19-17/h3-7,9-10,20H,8H2,1-2H3.
What are the key properties of 4-(3-methylbut-2-enyl)phenazin-1-ol?
4-(3-methylbut-2-enyl)phenazin-1-ol has a molecular weight of 264.33 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylbut-2-enyl)phenazin-1-ol is sourced from PubChem (CID 163108134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).