8-(dihydroxymethyl)-6-methoxyphenazine-2,3-diol

C14H12N2O5 — CID 166717796

IUPAC8-(dihydroxymethyl)-6-methoxyphenazine-2,3-diol
SMILESCOc1cc(C(O)O)cc2nc3cc(O)c(O)cc3nc12
InChIInChI=1S/C14H12N2O5/c1-21-12-3-6(14(19)20)2-9-13(12)16-8-5-11(18)10(17)4-7(8)15-9/h2-5,14,17-20H,1H3
InChIKeyXERJGUPLDOOIID-UHFFFAOYSA-N
MW288.26 g/mol
LogP1.19
Rot. Bonds2

About 8-(dihydroxymethyl)-6-methoxyphenazine-2,3-diol

8-(dihydroxymethyl)-6-methoxyphenazine-2,3-diol (PubChem CID 166717796) has the molecular formula C14H12N2O5 and a molecular weight of 288.26 g/mol. Its IUPAC name is 8-(dihydroxymethyl)-6-methoxyphenazine-2,3-diol.

Molecular Properties

Compound Name8-(dihydroxymethyl)-6-methoxyphenazine-2,3-diol
PubChem CID166717796
Molecular FormulaC14H12N2O5
Molecular Weight288.26 g/mol
Exact Mass288.07
IUPAC Name8-(dihydroxymethyl)-6-methoxyphenazine-2,3-diol
SMILESCOc1cc(C(O)O)cc2nc3cc(O)c(O)cc3nc12
InChIInChI=1S/C14H12N2O5/c1-21-12-3-6(14(19)20)2-9-13(12)16-8-5-11(18)10(17)4-7(8)15-9/h2-5,14,17-20H,1H3
InChIKeyXERJGUPLDOOIID-UHFFFAOYSA-N
XLogP1.19
TPSA115.93 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.26
LogP ≤ 51.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 8-(dihydroxymethyl)-6-methoxyphenazine-2,3-diol 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

4,9-dimethoxyphenazine-2,7-diol
CID 146380846
ethane;8-hydroxy-6-methoxyphenazine-2-sulfonic acid
CID 156832576
4,9-dimethoxyphenazine-2,7-dicarboxylic acid
CID 146380937
7-hydroxy-9-methoxy-3-methylphenazine-2-sulfonic acid;6-methoxy-3,8-dimethylphenazine-2-sulfonic acid
CID 162245752
(1R)-1,2-bis(4-hydroxy-3-methoxyphenyl)propane-1,3-diol
CID 56838657
4-[1-(3,4-dimethoxyphenyl)ethyl]benzene-1,2-diol
CID 174965052
(2R)-2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)acetic acid
CID 736173
5-methoxybenzene-1,2,4-triol
CID 20551665
4-[(1R)-1-aminoethyl]-2-methoxyphenol
CID 42282043
4-(1-aminobut-3-enyl)-2-methoxyphenol
CID 55295606
2,5-dihydroxycyclohexa-2,5-diene-1,4-dione;2-methoxybenzene-1,4-diol;phenazine-2,3-diol;sulfur trioxide
CID 160726429
2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)acetamide
CID 22339410

Frequently Asked Questions

What is the IUPAC name of 8-(dihydroxymethyl)-6-methoxyphenazine-2,3-diol?
The IUPAC name of 8-(dihydroxymethyl)-6-methoxyphenazine-2,3-diol (CID 166717796) is 8-(dihydroxymethyl)-6-methoxyphenazine-2,3-diol.
What is the SMILES notation for 8-(dihydroxymethyl)-6-methoxyphenazine-2,3-diol?
The canonical SMILES for 8-(dihydroxymethyl)-6-methoxyphenazine-2,3-diol is COc1cc(C(O)O)cc2nc3cc(O)c(O)cc3nc12.
What is the InChIKey of 8-(dihydroxymethyl)-6-methoxyphenazine-2,3-diol?
The InChIKey is XERJGUPLDOOIID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O5/c1-21-12-3-6(14(19)20)2-9-13(12)16-8-5-11(18)10(17)4-7(8)15-9/h2-5,14,17-20H,1H3.
What are the key properties of 8-(dihydroxymethyl)-6-methoxyphenazine-2,3-diol?
8-(dihydroxymethyl)-6-methoxyphenazine-2,3-diol has a molecular weight of 288.26 g/mol, XLogP of 1.19, 2 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(dihydroxymethyl)-6-methoxyphenazine-2,3-diol is sourced from PubChem (CID 166717796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).