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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Related Compounds

9-(2,6-dichlorophenyl)-2-(3-hydroxyphenyl)-7H-purin-8-one
CID 68893595
8-bromo-1-[(3R)-oxolan-3-yl]-3H-imidazo[4,5-c]quinolin-2-one
CID 118502860
9-cyclopentyl-2-(3-hydroxyphenyl)-8-oxo-7H-purine-6-carboxamide
CID 24937986
9-(oxan-4-yl)-7H-purin-8-one
CID 71061782
4-hydroxy-3-(oxan-3-yl)-1H-benzimidazol-2-one
CID 117208712
4-methyl-3-(oxolan-3-yl)-1H-benzimidazol-2-one
CID 117208534
3-(oxolan-3-yl)-1H-quinazoline-2,4-dione
CID 117260899
2-(6-fluorobenzimidazol-1-yl)-9-(oxan-4-yl)-7H-purin-8-one
CID 46880122
7-hydroxy-3-(oxan-4-yl)-1H-quinazoline-2,4-dione
CID 117261529
5-hydroxy-3-(oxan-4-yl)-1H-quinazoline-2,4-dione
CID 117260961
3-[2-morpholin-4-yl-9-(oxolan-3-yl)purin-6-yl]phenol
CID 25256550
ethyl 9-cyclopentyl-2-(3-hydroxyphenyl)-8-oxo-7H-purine-6-carboxylate
CID 57474583

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).