1-(9-benzylpurin-6-yl)-2-phenylethanol

C20H18N4O — CID 175378937

IUPAC1-(9-benzylpurin-6-yl)-2-phenylethanol
SMILESOC(Cc1ccccc1)c1ncnc2c1ncn2Cc1ccccc1
InChIInChI=1S/C20H18N4O/c25-17(11-15-7-3-1-4-8-15)18-19-20(22-13-21-18)24(14-23-19)12-16-9-5-2-6-10-16/h1-10,13-14,17,25H,11-12H2
InChIKeyGUVISCGICIMHCQ-UHFFFAOYSA-N
MW330.39 g/mol
LogP3.15
Rot. Bonds5

About 1-(9-benzylpurin-6-yl)-2-phenylethanol

1-(9-benzylpurin-6-yl)-2-phenylethanol (PubChem CID 175378937) has the molecular formula C20H18N4O and a molecular weight of 330.39 g/mol. Its IUPAC name is 1-(9-benzylpurin-6-yl)-2-phenylethanol.

Molecular Properties

Compound Name1-(9-benzylpurin-6-yl)-2-phenylethanol
PubChem CID175378937
Molecular FormulaC20H18N4O
Molecular Weight330.39 g/mol
Exact Mass330.15
IUPAC Name1-(9-benzylpurin-6-yl)-2-phenylethanol
SMILESOC(Cc1ccccc1)c1ncnc2c1ncn2Cc1ccccc1
InChIInChI=1S/C20H18N4O/c25-17(11-15-7-3-1-4-8-15)18-19-20(22-13-21-18)24(14-23-19)12-16-9-5-2-6-10-16/h1-10,13-14,17,25H,11-12H2
InChIKeyGUVISCGICIMHCQ-UHFFFAOYSA-N
XLogP3.15
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(9-benzylpurin-6-yl)-2-phenylethanol?
The IUPAC name of 1-(9-benzylpurin-6-yl)-2-phenylethanol (CID 175378937) is 1-(9-benzylpurin-6-yl)-2-phenylethanol.
What is the SMILES notation for 1-(9-benzylpurin-6-yl)-2-phenylethanol?
The canonical SMILES for 1-(9-benzylpurin-6-yl)-2-phenylethanol is OC(Cc1ccccc1)c1ncnc2c1ncn2Cc1ccccc1.
What is the InChIKey of 1-(9-benzylpurin-6-yl)-2-phenylethanol?
The InChIKey is GUVISCGICIMHCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O/c25-17(11-15-7-3-1-4-8-15)18-19-20(22-13-21-18)24(14-23-19)12-16-9-5-2-6-10-16/h1-10,13-14,17,25H,11-12H2.
What are the key properties of 1-(9-benzylpurin-6-yl)-2-phenylethanol?
1-(9-benzylpurin-6-yl)-2-phenylethanol has a molecular weight of 330.39 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9-benzylpurin-6-yl)-2-phenylethanol is sourced from PubChem (CID 175378937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).