4-[(E)-([1]benzofuro[3,2-d]pyrimidin-4-ylhydrazinylidene)methyl]-2-ethoxyphenol

C19H16N4O3 — CID 135800451

IUPAC4-[(E)-([1]benzofuro[3,2-d]pyrimidin-4-ylhydrazinylidene)methyl]-2-ethoxyphenol
SMILESCCOc1cc(/C=N/Nc2ncnc3c2oc2ccccc23)ccc1O
InChIInChI=1S/C19H16N4O3/c1-2-25-16-9-12(7-8-14(16)24)10-22-23-19-18-17(20-11-21-19)13-5-3-4-6-15(13)26-18/h3-11,24H,2H2,1H3,(H,20,21,23)/b22-10+
InChIKeyIKAYTIGAKNTDSZ-LSHDLFTRSA-N
MW348.36 g/mol
LogP3.93
Rot. Bonds5

About 4-[(E)-([1]benzofuro[3,2-d]pyrimidin-4-ylhydrazinylidene)methyl]-2-ethoxyphenol

4-[(E)-([1]benzofuro[3,2-d]pyrimidin-4-ylhydrazinylidene)methyl]-2-ethoxyphenol (PubChem CID 135800451) has the molecular formula C19H16N4O3 and a molecular weight of 348.36 g/mol. Its IUPAC name is 4-[(E)-([1]benzofuro[3,2-d]pyrimidin-4-ylhydrazinylidene)methyl]-2-ethoxyphenol.

Molecular Properties

Compound Name4-[(E)-([1]benzofuro[3,2-d]pyrimidin-4-ylhydrazinylidene)methyl]-2-ethoxyphenol
PubChem CID135800451
Molecular FormulaC19H16N4O3
Molecular Weight348.36 g/mol
Exact Mass348.12
IUPAC Name4-[(E)-([1]benzofuro[3,2-d]pyrimidin-4-ylhydrazinylidene)methyl]-2-ethoxyphenol
SMILESCCOc1cc(/C=N/Nc2ncnc3c2oc2ccccc23)ccc1O
InChIInChI=1S/C19H16N4O3/c1-2-25-16-9-12(7-8-14(16)24)10-22-23-19-18-17(20-11-21-19)13-5-3-4-6-15(13)26-18/h3-11,24H,2H2,1H3,(H,20,21,23)/b22-10+
InChIKeyIKAYTIGAKNTDSZ-LSHDLFTRSA-N
XLogP3.93
TPSA92.77 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 53.93
H-Bond Donors ≤ 52
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-[(Z)-[2-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 9300369
N-[(Z)-1-(3,4-diethoxyphenyl)ethylideneamino]-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 9023464
2-ethoxy-4-[(E)-(7H-purin-6-ylhydrazinylidene)methyl]phenol
CID 135579920
2-ethoxy-4-[(pyridin-2-ylhydrazinylidene)methyl]phenol
CID 3384370
N-[(Z)-(2-fluorophenyl)methylideneamino]-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 9300130
N-[(Z)-thiophen-2-ylmethylideneamino]-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 9299932
4-[(E)-N-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)-C-methylcarbonimidoyl]-2-(diethylaminomethyl)phenol
CID 135770978
4-[(Z)-(1H-benzimidazol-2-ylhydrazinylidene)methyl]-2-ethoxyphenol
CID 136806309
4-[(E)-[(3-chlorophenyl)hydrazinylidene]methyl]-2-ethoxyphenol
CID 135576630
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

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-([1]benzofuro[3,2-d]pyrimidin-4-ylhydrazinylidene)methyl]-2-ethoxyphenol?
The IUPAC name of 4-[(E)-([1]benzofuro[3,2-d]pyrimidin-4-ylhydrazinylidene)methyl]-2-ethoxyphenol (CID 135800451) is 4-[(E)-([1]benzofuro[3,2-d]pyrimidin-4-ylhydrazinylidene)methyl]-2-ethoxyphenol.
What is the SMILES notation for 4-[(E)-([1]benzofuro[3,2-d]pyrimidin-4-ylhydrazinylidene)methyl]-2-ethoxyphenol?
The canonical SMILES for 4-[(E)-([1]benzofuro[3,2-d]pyrimidin-4-ylhydrazinylidene)methyl]-2-ethoxyphenol is CCOc1cc(/C=N/Nc2ncnc3c2oc2ccccc23)ccc1O.
What is the InChIKey of 4-[(E)-([1]benzofuro[3,2-d]pyrimidin-4-ylhydrazinylidene)methyl]-2-ethoxyphenol?
The InChIKey is IKAYTIGAKNTDSZ-LSHDLFTRSA-N. The full InChI is InChI=1S/C19H16N4O3/c1-2-25-16-9-12(7-8-14(16)24)10-22-23-19-18-17(20-11-21-19)13-5-3-4-6-15(13)26-18/h3-11,24H,2H2,1H3,(H,20,21,23)/b22-10+.
What are the key properties of 4-[(E)-([1]benzofuro[3,2-d]pyrimidin-4-ylhydrazinylidene)methyl]-2-ethoxyphenol?
4-[(E)-([1]benzofuro[3,2-d]pyrimidin-4-ylhydrazinylidene)methyl]-2-ethoxyphenol has a molecular weight of 348.36 g/mol, XLogP of 3.93, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-([1]benzofuro[3,2-d]pyrimidin-4-ylhydrazinylidene)methyl]-2-ethoxyphenol is sourced from PubChem (CID 135800451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).