3-[9-(2-methoxyphenyl)purin-2-yl]phenol

C18H14N4O2 — CID 141219427

IUPAC3-[9-(2-methoxyphenyl)purin-2-yl]phenol
SMILESCOc1ccccc1-n1cnc2cnc(-c3cccc(O)c3)nc21
InChIInChI=1S/C18H14N4O2/c1-24-16-8-3-2-7-15(16)22-11-20-14-10-19-17(21-18(14)22)12-5-4-6-13(23)9-12/h2-11,23H,1H3
InChIKeySFKBSLVTSXWAKS-UHFFFAOYSA-N
MW318.34 g/mol
LogP3.20
Rot. Bonds3

About 3-[9-(2-methoxyphenyl)purin-2-yl]phenol

3-[9-(2-methoxyphenyl)purin-2-yl]phenol (PubChem CID 141219427) has the molecular formula C18H14N4O2 and a molecular weight of 318.34 g/mol. Its IUPAC name is 3-[9-(2-methoxyphenyl)purin-2-yl]phenol.

Molecular Properties

Compound Name3-[9-(2-methoxyphenyl)purin-2-yl]phenol
PubChem CID141219427
Molecular FormulaC18H14N4O2
Molecular Weight318.34 g/mol
Exact Mass318.11
IUPAC Name3-[9-(2-methoxyphenyl)purin-2-yl]phenol
SMILESCOc1ccccc1-n1cnc2cnc(-c3cccc(O)c3)nc21
InChIInChI=1S/C18H14N4O2/c1-24-16-8-3-2-7-15(16)22-11-20-14-10-19-17(21-18(14)22)12-5-4-6-13(23)9-12/h2-11,23H,1H3
InChIKeySFKBSLVTSXWAKS-UHFFFAOYSA-N
XLogP3.20
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2-methoxyphenyl)imidazo[4,5-b]pyridine
CID 117166289
2-(3-hydroxyphenyl)-9-(2-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide
CID 7196943
3-(2-methoxyphenyl)quinazolin-4-one
CID 823516
3-(9-methylpurin-2-yl)aniline
CID 157019101
3-(3,4-dimethoxyphenyl)phenol
CID 39231875
9-phenyl-2-pyridin-3-ylpurine
CID 67147959
N-[2-(3-hydroxyphenyl)-9-[(2-methoxyphenyl)methyl]purin-6-yl]formamide
CID 174765910
3-[4-amino-6-methoxy-5-(2-methoxyphenoxy)pyrimidin-2-yl]phenol
CID 69287814
9-(1H-indazol-6-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]purine
CID 53385751
N-ethyl-1-(2-methoxyphenyl)-N-propylbenzimidazole-5-carboxamide
CID 156811262
2-(9-naphthalen-1-ylpurin-2-yl)sulfanylacetic acid
CID 154631442
3-[5-(1-hydroxyethyl)-4-methylpyrimidin-2-yl]phenol
CID 107922082

Frequently Asked Questions

What is the IUPAC name of 3-[9-(2-methoxyphenyl)purin-2-yl]phenol?
The IUPAC name of 3-[9-(2-methoxyphenyl)purin-2-yl]phenol (CID 141219427) is 3-[9-(2-methoxyphenyl)purin-2-yl]phenol.
What is the SMILES notation for 3-[9-(2-methoxyphenyl)purin-2-yl]phenol?
The canonical SMILES for 3-[9-(2-methoxyphenyl)purin-2-yl]phenol is COc1ccccc1-n1cnc2cnc(-c3cccc(O)c3)nc21.
What is the InChIKey of 3-[9-(2-methoxyphenyl)purin-2-yl]phenol?
The InChIKey is SFKBSLVTSXWAKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O2/c1-24-16-8-3-2-7-15(16)22-11-20-14-10-19-17(21-18(14)22)12-5-4-6-13(23)9-12/h2-11,23H,1H3.
What are the key properties of 3-[9-(2-methoxyphenyl)purin-2-yl]phenol?
3-[9-(2-methoxyphenyl)purin-2-yl]phenol has a molecular weight of 318.34 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-(2-methoxyphenyl)purin-2-yl]phenol is sourced from PubChem (CID 141219427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).