phenol;7H-purine-2-carbaldehyde

C12H10N4O2 — CID 174600376

IUPACphenol;7H-purine-2-carbaldehyde
SMILESO=Cc1ncc2[nH]cnc2n1.Oc1ccccc1
InChIInChI=1S/C6H4N4O.C6H6O/c11-2-5-7-1-4-6(10-5)9-3-8-4;7-6-4-2-1-3-5-6/h1-3H,(H,7,8,9,10);1-5,7H
InChIKeyLCELRBQKBYTHIW-UHFFFAOYSA-N
MW242.24 g/mol
LogP1.56
Rot. Bonds1

About phenol;7H-purine-2-carbaldehyde

phenol;7H-purine-2-carbaldehyde (PubChem CID 174600376) has the molecular formula C12H10N4O2 and a molecular weight of 242.24 g/mol. Its IUPAC name is phenol;7H-purine-2-carbaldehyde.

Molecular Properties

Compound Namephenol;7H-purine-2-carbaldehyde
PubChem CID174600376
Molecular FormulaC12H10N4O2
Molecular Weight242.24 g/mol
Exact Mass242.08
IUPAC Namephenol;7H-purine-2-carbaldehyde
SMILESO=Cc1ncc2[nH]cnc2n1.Oc1ccccc1
InChIInChI=1S/C6H4N4O.C6H6O/c11-2-5-7-1-4-6(10-5)9-3-8-4;7-6-4-2-1-3-5-6/h1-3H,(H,7,8,9,10);1-5,7H
InChIKeyLCELRBQKBYTHIW-UHFFFAOYSA-N
XLogP1.56
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of phenol;7H-purine-2-carbaldehyde?
The IUPAC name of phenol;7H-purine-2-carbaldehyde (CID 174600376) is phenol;7H-purine-2-carbaldehyde.
What is the SMILES notation for phenol;7H-purine-2-carbaldehyde?
The canonical SMILES for phenol;7H-purine-2-carbaldehyde is O=Cc1ncc2[nH]cnc2n1.Oc1ccccc1.
What is the InChIKey of phenol;7H-purine-2-carbaldehyde?
The InChIKey is LCELRBQKBYTHIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N4O.C6H6O/c11-2-5-7-1-4-6(10-5)9-3-8-4;7-6-4-2-1-3-5-6/h1-3H,(H,7,8,9,10);1-5,7H.
What are the key properties of phenol;7H-purine-2-carbaldehyde?
phenol;7H-purine-2-carbaldehyde has a molecular weight of 242.24 g/mol, XLogP of 1.56, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenol;7H-purine-2-carbaldehyde is sourced from PubChem (CID 174600376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).