2-methoxy-6-(7H-purin-8-yl)phenol

C12H10N4O2 — CID 137000895

IUPAC2-methoxy-6-(7H-purin-8-yl)phenol
SMILESCOc1cccc(-c2nc3ncncc3[nH]2)c1O
InChIInChI=1S/C12H10N4O2/c1-18-9-4-2-3-7(10(9)17)11-15-8-5-13-6-14-12(8)16-11/h2-6,17H,1H3,(H,13,14,15,16)
InChIKeyTUJVEPUQTBOHNY-UHFFFAOYSA-N
MW242.24 g/mol
LogP1.73
Rot. Bonds2

About 2-methoxy-6-(7H-purin-8-yl)phenol

2-methoxy-6-(7H-purin-8-yl)phenol (PubChem CID 137000895) has the molecular formula C12H10N4O2 and a molecular weight of 242.24 g/mol. Its IUPAC name is 2-methoxy-6-(7H-purin-8-yl)phenol.

Molecular Properties

Compound Name2-methoxy-6-(7H-purin-8-yl)phenol
PubChem CID137000895
Molecular FormulaC12H10N4O2
Molecular Weight242.24 g/mol
Exact Mass242.08
IUPAC Name2-methoxy-6-(7H-purin-8-yl)phenol
SMILESCOc1cccc(-c2nc3ncncc3[nH]2)c1O
InChIInChI=1S/C12H10N4O2/c1-18-9-4-2-3-7(10(9)17)11-15-8-5-13-6-14-12(8)16-11/h2-6,17H,1H3,(H,13,14,15,16)
InChIKeyTUJVEPUQTBOHNY-UHFFFAOYSA-N
XLogP1.73
TPSA83.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

8-(2,5-dimethoxyphenyl)-7H-purine
CID 114402502
3-methoxy-4-(7H-purin-8-yl)benzoic acid
CID 13284530
8-(2-tert-butylphenyl)-7H-purine
CID 114402739
2-bromo-6-(7H-purin-8-yl)aniline
CID 114401929
8-(3,4,5-trimethoxyphenyl)-7H-purine
CID 114402745
methyl 2-[4-methoxy-3-(7H-purin-8-yl)phenoxy]acetate
CID 70490048
5-(7H-purin-8-yl)quinoxaline
CID 114402530
8-(2-methoxy-3-prop-2-enylsulfanylphenyl)-7H-purine
CID 70499425
2-(6-bromo-4-methyl-1H-benzimidazol-2-yl)-6-methoxyphenol
CID 136727868
2-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-6-methoxyphenol
CID 135589912
2-chloro-8-(2-methoxyphenyl)-7H-purine
CID 24904038
3-fluoro-2-(7H-purin-8-yl)phenol
CID 136959758

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-(7H-purin-8-yl)phenol?
The IUPAC name of 2-methoxy-6-(7H-purin-8-yl)phenol (CID 137000895) is 2-methoxy-6-(7H-purin-8-yl)phenol.
What is the SMILES notation for 2-methoxy-6-(7H-purin-8-yl)phenol?
The canonical SMILES for 2-methoxy-6-(7H-purin-8-yl)phenol is COc1cccc(-c2nc3ncncc3[nH]2)c1O.
What is the InChIKey of 2-methoxy-6-(7H-purin-8-yl)phenol?
The InChIKey is TUJVEPUQTBOHNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O2/c1-18-9-4-2-3-7(10(9)17)11-15-8-5-13-6-14-12(8)16-11/h2-6,17H,1H3,(H,13,14,15,16).
What are the key properties of 2-methoxy-6-(7H-purin-8-yl)phenol?
2-methoxy-6-(7H-purin-8-yl)phenol has a molecular weight of 242.24 g/mol, XLogP of 1.73, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-(7H-purin-8-yl)phenol is sourced from PubChem (CID 137000895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).