2-ethoxy-4-[(E)-(7H-purin-6-ylhydrazinylidene)methyl]phenol

C14H14N6O2 — CID 135579920

IUPAC2-ethoxy-4-[(E)-(7H-purin-6-ylhydrazinylidene)methyl]phenol
SMILESCCOc1cc(/C=N/Nc2ncnc3nc[nH]c23)ccc1O
InChIInChI=1S/C14H14N6O2/c1-2-22-11-5-9(3-4-10(11)21)6-19-20-14-12-13(16-7-15-12)17-8-18-14/h3-8,21H,2H2,1H3,(H2,15,16,17,18,20)/b19-6+
InChIKeyNZFZKLXPKKVIGN-KPSZGOFPSA-N
MW298.31 g/mol
LogP1.90
Rot. Bonds5

About 2-ethoxy-4-[(E)-(7H-purin-6-ylhydrazinylidene)methyl]phenol

2-ethoxy-4-[(E)-(7H-purin-6-ylhydrazinylidene)methyl]phenol (PubChem CID 135579920) has the molecular formula C14H14N6O2 and a molecular weight of 298.31 g/mol. Its IUPAC name is 2-ethoxy-4-[(E)-(7H-purin-6-ylhydrazinylidene)methyl]phenol.

Molecular Properties

Compound Name2-ethoxy-4-[(E)-(7H-purin-6-ylhydrazinylidene)methyl]phenol
PubChem CID135579920
Molecular FormulaC14H14N6O2
Molecular Weight298.31 g/mol
Exact Mass298.12
IUPAC Name2-ethoxy-4-[(E)-(7H-purin-6-ylhydrazinylidene)methyl]phenol
SMILESCCOc1cc(/C=N/Nc2ncnc3nc[nH]c23)ccc1O
InChIInChI=1S/C14H14N6O2/c1-2-22-11-5-9(3-4-10(11)21)6-19-20-14-12-13(16-7-15-12)17-8-18-14/h3-8,21H,2H2,1H3,(H2,15,16,17,18,20)/b19-6+
InChIKeyNZFZKLXPKKVIGN-KPSZGOFPSA-N
XLogP1.90
TPSA108.31 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(3-iodophenyl)methylideneamino]-7H-purin-6-amine
CID 68654089
4-[(E)-([1]benzofuro[3,2-d]pyrimidin-4-ylhydrazinylidene)methyl]-2-ethoxyphenol
CID 135800451
2-ethoxy-4-[(pyridin-2-ylhydrazinylidene)methyl]phenol
CID 3384370
4-[(E)-[(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]methyl]-2-ethoxyphenol
CID 135620435
2-ethoxy-4-[[(2,3,4,5,6-pentafluorophenyl)hydrazinylidene]methyl]phenol
CID 4012909
4-[(E)-[(4-chlorophenyl)hydrazinylidene]methyl]-2-ethoxyphenol
CID 135675775
2-ethoxy-4-[(Z)-hydroxyiminomethyl]phenol
CID 135832909
4-[(Z)-(1H-benzimidazol-2-ylhydrazinylidene)methyl]-2-ethoxyphenol
CID 136806309
2-ethoxy-4-[[4-(7H-purin-6-ylamino)piperidin-1-yl]methyl]phenol
CID 67147383
2-ethoxy-4-[(E)-[(2,3,5,6-tetrafluorophenyl)hydrazinylidene]methyl]phenol
CID 135613721
4-[(E)-[(4,5-dimethyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2-ethoxyphenol
CID 139030148
4-[(E)-[(3-chloro-4-methylphenyl)hydrazinylidene]methyl]-2-ethoxyphenol
CID 135676115

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-[(E)-(7H-purin-6-ylhydrazinylidene)methyl]phenol?
The IUPAC name of 2-ethoxy-4-[(E)-(7H-purin-6-ylhydrazinylidene)methyl]phenol (CID 135579920) is 2-ethoxy-4-[(E)-(7H-purin-6-ylhydrazinylidene)methyl]phenol.
What is the SMILES notation for 2-ethoxy-4-[(E)-(7H-purin-6-ylhydrazinylidene)methyl]phenol?
The canonical SMILES for 2-ethoxy-4-[(E)-(7H-purin-6-ylhydrazinylidene)methyl]phenol is CCOc1cc(/C=N/Nc2ncnc3nc[nH]c23)ccc1O.
What is the InChIKey of 2-ethoxy-4-[(E)-(7H-purin-6-ylhydrazinylidene)methyl]phenol?
The InChIKey is NZFZKLXPKKVIGN-KPSZGOFPSA-N. The full InChI is InChI=1S/C14H14N6O2/c1-2-22-11-5-9(3-4-10(11)21)6-19-20-14-12-13(16-7-15-12)17-8-18-14/h3-8,21H,2H2,1H3,(H2,15,16,17,18,20)/b19-6+.
What are the key properties of 2-ethoxy-4-[(E)-(7H-purin-6-ylhydrazinylidene)methyl]phenol?
2-ethoxy-4-[(E)-(7H-purin-6-ylhydrazinylidene)methyl]phenol has a molecular weight of 298.31 g/mol, XLogP of 1.90, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-[(E)-(7H-purin-6-ylhydrazinylidene)methyl]phenol is sourced from PubChem (CID 135579920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).