3-fluoro-2-(7H-purin-8-yl)phenol

C11H7FN4O — CID 136959758

IUPAC3-fluoro-2-(7H-purin-8-yl)phenol
SMILESOc1cccc(F)c1-c1nc2ncncc2[nH]1
InChIInChI=1S/C11H7FN4O/c12-6-2-1-3-8(17)9(6)11-15-7-4-13-5-14-10(7)16-11/h1-5,17H,(H,13,14,15,16)
InChIKeyFRCHMJUMSZSISL-UHFFFAOYSA-N
MW230.20 g/mol
LogP1.86
Rot. Bonds1

About 3-fluoro-2-(7H-purin-8-yl)phenol

3-fluoro-2-(7H-purin-8-yl)phenol (PubChem CID 136959758) has the molecular formula C11H7FN4O and a molecular weight of 230.20 g/mol. Its IUPAC name is 3-fluoro-2-(7H-purin-8-yl)phenol.

Molecular Properties

Compound Name3-fluoro-2-(7H-purin-8-yl)phenol
PubChem CID136959758
Molecular FormulaC11H7FN4O
Molecular Weight230.20 g/mol
Exact Mass230.06
IUPAC Name3-fluoro-2-(7H-purin-8-yl)phenol
SMILESOc1cccc(F)c1-c1nc2ncncc2[nH]1
InChIInChI=1S/C11H7FN4O/c12-6-2-1-3-8(17)9(6)11-15-7-4-13-5-14-10(7)16-11/h1-5,17H,(H,13,14,15,16)
InChIKeyFRCHMJUMSZSISL-UHFFFAOYSA-N
XLogP1.86
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.20
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-fluoro-2-(7H-purin-8-yl)phenol 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

8-(2-bromo-6-fluorophenyl)-7H-purine
CID 114560138
2-(2-fluoro-6-hydroxyphenyl)-3H-benzimidazol-5-ol
CID 136959757
6-(7H-purin-8-yl)pyridin-2-amine
CID 114402104
2-methoxy-6-(7H-purin-8-yl)phenol
CID 137000895
5-(7H-purin-8-yl)quinoxaline
CID 114402530
8-(4-methylsulfanylphenyl)-7H-purine
CID 114402617
8-[4-(difluoromethoxy)-2-fluorophenyl]-7H-purine
CID 167823657
2-(2-bromo-6-fluorophenyl)-6-methyl-1H-imidazo[4,5-b]pyridine
CID 114560120
8-(3-methylthiophen-2-yl)-7H-purine
CID 114402599
3-chloro-5-(7H-purin-8-yl)phenol
CID 167797751
2-bromo-6-(7H-purin-8-yl)aniline
CID 114401929
(9R)-4-(7H-purin-8-yl)-9H-fluorene-9-carboxamide
CID 67360207

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-(7H-purin-8-yl)phenol?
The IUPAC name of 3-fluoro-2-(7H-purin-8-yl)phenol (CID 136959758) is 3-fluoro-2-(7H-purin-8-yl)phenol.
What is the SMILES notation for 3-fluoro-2-(7H-purin-8-yl)phenol?
The canonical SMILES for 3-fluoro-2-(7H-purin-8-yl)phenol is Oc1cccc(F)c1-c1nc2ncncc2[nH]1.
What is the InChIKey of 3-fluoro-2-(7H-purin-8-yl)phenol?
The InChIKey is FRCHMJUMSZSISL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7FN4O/c12-6-2-1-3-8(17)9(6)11-15-7-4-13-5-14-10(7)16-11/h1-5,17H,(H,13,14,15,16).
What are the key properties of 3-fluoro-2-(7H-purin-8-yl)phenol?
3-fluoro-2-(7H-purin-8-yl)phenol has a molecular weight of 230.20 g/mol, XLogP of 1.86, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-(7H-purin-8-yl)phenol is sourced from PubChem (CID 136959758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).