4-(3-methylpent-2-enyl)phenazine-1,6-diol

C18H18N2O2 — CID 136933100

IUPAC4-(3-methylpent-2-enyl)phenazine-1,6-diol
SMILESCCC(C)=CCc1ccc(O)c2nc3cccc(O)c3nc12
InChIInChI=1S/C18H18N2O2/c1-3-11(2)7-8-12-9-10-15(22)18-16(12)20-17-13(19-18)5-4-6-14(17)21/h4-7,9-10,21-22H,3,8H2,1-2H3
InChIKeyCJCURMLHWBHRPN-UHFFFAOYSA-N
MW294.35 g/mol
LogP4.09
Rot. Bonds3

About 4-(3-methylpent-2-enyl)phenazine-1,6-diol

4-(3-methylpent-2-enyl)phenazine-1,6-diol (PubChem CID 136933100) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 4-(3-methylpent-2-enyl)phenazine-1,6-diol.

Molecular Properties

Compound Name4-(3-methylpent-2-enyl)phenazine-1,6-diol
PubChem CID136933100
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name4-(3-methylpent-2-enyl)phenazine-1,6-diol
SMILESCCC(C)=CCc1ccc(O)c2nc3cccc(O)c3nc12
InChIInChI=1S/C18H18N2O2/c1-3-11(2)7-8-12-9-10-15(22)18-16(12)20-17-13(19-18)5-4-6-14(17)21/h4-7,9-10,21-22H,3,8H2,1-2H3
InChIKeyCJCURMLHWBHRPN-UHFFFAOYSA-N
XLogP4.09
TPSA66.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methylpent-2-enyl)phenazine-1,6-diol?
The IUPAC name of 4-(3-methylpent-2-enyl)phenazine-1,6-diol (CID 136933100) is 4-(3-methylpent-2-enyl)phenazine-1,6-diol.
What is the SMILES notation for 4-(3-methylpent-2-enyl)phenazine-1,6-diol?
The canonical SMILES for 4-(3-methylpent-2-enyl)phenazine-1,6-diol is CCC(C)=CCc1ccc(O)c2nc3cccc(O)c3nc12.
What is the InChIKey of 4-(3-methylpent-2-enyl)phenazine-1,6-diol?
The InChIKey is CJCURMLHWBHRPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-3-11(2)7-8-12-9-10-15(22)18-16(12)20-17-13(19-18)5-4-6-14(17)21/h4-7,9-10,21-22H,3,8H2,1-2H3.
What are the key properties of 4-(3-methylpent-2-enyl)phenazine-1,6-diol?
4-(3-methylpent-2-enyl)phenazine-1,6-diol has a molecular weight of 294.35 g/mol, XLogP of 4.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylpent-2-enyl)phenazine-1,6-diol is sourced from PubChem (CID 136933100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).