2-(3-hydroxyphenyl)-9-[(3S)-oxolan-3-yl]-7H-purin-8-one

C15H14N4O3 — CID 141219402

IUPAC2-(3-hydroxyphenyl)-9-[(3S)-oxolan-3-yl]-7H-purin-8-one
SMILESO=c1[nH]c2cnc(-c3cccc(O)c3)nc2n1[C@H]1CCOC1
InChIInChI=1S/C15H14N4O3/c20-11-3-1-2-9(6-11)13-16-7-12-14(18-13)19(15(21)17-12)10-4-5-22-8-10/h1-3,6-7,10,20H,4-5,8H2,(H,17,21)/t10-/m0/s1
InChIKeyAFSMHBVOLOVGCQ-JTQLQIEISA-N
MW298.30 g/mol
LogP1.45
Rot. Bonds2

About 2-(3-hydroxyphenyl)-9-[(3S)-oxolan-3-yl]-7H-purin-8-one

2-(3-hydroxyphenyl)-9-[(3S)-oxolan-3-yl]-7H-purin-8-one (PubChem CID 141219402) has the molecular formula C15H14N4O3 and a molecular weight of 298.30 g/mol. Its IUPAC name is 2-(3-hydroxyphenyl)-9-[(3S)-oxolan-3-yl]-7H-purin-8-one.

Molecular Properties

Compound Name2-(3-hydroxyphenyl)-9-[(3S)-oxolan-3-yl]-7H-purin-8-one
PubChem CID141219402
Molecular FormulaC15H14N4O3
Molecular Weight298.30 g/mol
Exact Mass298.11
IUPAC Name2-(3-hydroxyphenyl)-9-[(3S)-oxolan-3-yl]-7H-purin-8-one
SMILESO=c1[nH]c2cnc(-c3cccc(O)c3)nc2n1[C@H]1CCOC1
InChIInChI=1S/C15H14N4O3/c20-11-3-1-2-9(6-11)13-16-7-12-14(18-13)19(15(21)17-12)10-4-5-22-8-10/h1-3,6-7,10,20H,4-5,8H2,(H,17,21)/t10-/m0/s1
InChIKeyAFSMHBVOLOVGCQ-JTQLQIEISA-N
XLogP1.45
TPSA93.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxyphenyl)-9-[(3S)-oxolan-3-yl]-7H-purin-8-one?
The IUPAC name of 2-(3-hydroxyphenyl)-9-[(3S)-oxolan-3-yl]-7H-purin-8-one (CID 141219402) is 2-(3-hydroxyphenyl)-9-[(3S)-oxolan-3-yl]-7H-purin-8-one.
What is the SMILES notation for 2-(3-hydroxyphenyl)-9-[(3S)-oxolan-3-yl]-7H-purin-8-one?
The canonical SMILES for 2-(3-hydroxyphenyl)-9-[(3S)-oxolan-3-yl]-7H-purin-8-one is O=c1[nH]c2cnc(-c3cccc(O)c3)nc2n1[C@H]1CCOC1.
What is the InChIKey of 2-(3-hydroxyphenyl)-9-[(3S)-oxolan-3-yl]-7H-purin-8-one?
The InChIKey is AFSMHBVOLOVGCQ-JTQLQIEISA-N. The full InChI is InChI=1S/C15H14N4O3/c20-11-3-1-2-9(6-11)13-16-7-12-14(18-13)19(15(21)17-12)10-4-5-22-8-10/h1-3,6-7,10,20H,4-5,8H2,(H,17,21)/t10-/m0/s1.
What are the key properties of 2-(3-hydroxyphenyl)-9-[(3S)-oxolan-3-yl]-7H-purin-8-one?
2-(3-hydroxyphenyl)-9-[(3S)-oxolan-3-yl]-7H-purin-8-one has a molecular weight of 298.30 g/mol, XLogP of 1.45, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxyphenyl)-9-[(3S)-oxolan-3-yl]-7H-purin-8-one is sourced from PubChem (CID 141219402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).