4-(7H-purin-2-yloxy)benzene-1,2-diol

C11H8N4O3 — CID 150201639

IUPAC4-(7H-purin-2-yloxy)benzene-1,2-diol
SMILESOc1ccc(Oc2ncc3[nH]cnc3n2)cc1O
InChIInChI=1S/C11H8N4O3/c16-8-2-1-6(3-9(8)17)18-11-12-4-7-10(15-11)14-5-13-7/h1-5,16-17H,(H,12,13,14,15)
InChIKeyFPPQGGSCKCPTCD-UHFFFAOYSA-N
MW244.21 g/mol
LogP1.56
Rot. Bonds2

About 4-(7H-purin-2-yloxy)benzene-1,2-diol

4-(7H-purin-2-yloxy)benzene-1,2-diol (PubChem CID 150201639) has the molecular formula C11H8N4O3 and a molecular weight of 244.21 g/mol. Its IUPAC name is 4-(7H-purin-2-yloxy)benzene-1,2-diol.

Molecular Properties

Compound Name4-(7H-purin-2-yloxy)benzene-1,2-diol
PubChem CID150201639
Molecular FormulaC11H8N4O3
Molecular Weight244.21 g/mol
Exact Mass244.06
IUPAC Name4-(7H-purin-2-yloxy)benzene-1,2-diol
SMILESOc1ccc(Oc2ncc3[nH]cnc3n2)cc1O
InChIInChI=1S/C11H8N4O3/c16-8-2-1-6(3-9(8)17)18-11-12-4-7-10(15-11)14-5-13-7/h1-5,16-17H,(H,12,13,14,15)
InChIKeyFPPQGGSCKCPTCD-UHFFFAOYSA-N
XLogP1.56
TPSA104.15 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.21
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze 4-(7H-purin-2-yloxy)benzene-1,2-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

2-(trifluoromethoxy)-7H-purine
CID 86115012
4-[3-(7H-purin-2-ylamino)propyl]benzene-1,2-diol
CID 139958757
2-(2,2-dimethylpropoxy)-7H-purine
CID 68938399
2-[(7H-purin-2-ylamino)methyl]phenol
CID 161411185
7H-purine-2-carboxylic acid;hydrochloride
CID 162322232
phenol;7H-purine-2-carbaldehyde
CID 174600376
2-chloro-7H-purine;hydrobromide
CID 172776309
4-(3,4-dihydroxyphenoxy)benzene-1,3-diol
CID 19427119
2-(3H-imidazo[4,5-c]pyridin-7-yl)-4-methoxyphenol
CID 162631441
2-(7H-purin-2-yl)prop-2-enoic acid
CID 175072639
2-adamantyl(7H-purin-2-yloxy)methanamine
CID 18365122
7H-purine-2-sulfonamide
CID 3276405

Frequently Asked Questions

What is the IUPAC name of 4-(7H-purin-2-yloxy)benzene-1,2-diol?
The IUPAC name of 4-(7H-purin-2-yloxy)benzene-1,2-diol (CID 150201639) is 4-(7H-purin-2-yloxy)benzene-1,2-diol.
What is the SMILES notation for 4-(7H-purin-2-yloxy)benzene-1,2-diol?
The canonical SMILES for 4-(7H-purin-2-yloxy)benzene-1,2-diol is Oc1ccc(Oc2ncc3[nH]cnc3n2)cc1O.
What is the InChIKey of 4-(7H-purin-2-yloxy)benzene-1,2-diol?
The InChIKey is FPPQGGSCKCPTCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4O3/c16-8-2-1-6(3-9(8)17)18-11-12-4-7-10(15-11)14-5-13-7/h1-5,16-17H,(H,12,13,14,15).
What are the key properties of 4-(7H-purin-2-yloxy)benzene-1,2-diol?
4-(7H-purin-2-yloxy)benzene-1,2-diol has a molecular weight of 244.21 g/mol, XLogP of 1.56, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7H-purin-2-yloxy)benzene-1,2-diol is sourced from PubChem (CID 150201639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).