2-methoxy-6-[[3-(tetrazol-1-yl)phenyl]iminomethyl]phenol

C15H13N5O2 — CID 135758368

IUPAC2-methoxy-6-[[3-(tetrazol-1-yl)phenyl]iminomethyl]phenol
SMILESCOc1cccc(/C=N/c2cccc(-n3cnnn3)c2)c1O
InChIInChI=1S/C15H13N5O2/c1-22-14-7-2-4-11(15(14)21)9-16-12-5-3-6-13(8-12)20-10-17-18-19-20/h2-10,21H,1H3/b16-9+
InChIKeyXXIPQEVPIDLOLA-CXUHLZMHSA-N
MW295.30 g/mol
LogP2.13
Rot. Bonds4

About 2-methoxy-6-[[3-(tetrazol-1-yl)phenyl]iminomethyl]phenol

2-methoxy-6-[[3-(tetrazol-1-yl)phenyl]iminomethyl]phenol (PubChem CID 135758368) has the molecular formula C15H13N5O2 and a molecular weight of 295.30 g/mol. Its IUPAC name is 2-methoxy-6-[[3-(tetrazol-1-yl)phenyl]iminomethyl]phenol.

Molecular Properties

Compound Name2-methoxy-6-[[3-(tetrazol-1-yl)phenyl]iminomethyl]phenol
PubChem CID135758368
Molecular FormulaC15H13N5O2
Molecular Weight295.30 g/mol
Exact Mass295.11
IUPAC Name2-methoxy-6-[[3-(tetrazol-1-yl)phenyl]iminomethyl]phenol
SMILESCOc1cccc(/C=N/c2cccc(-n3cnnn3)c2)c1O
InChIInChI=1S/C15H13N5O2/c1-22-14-7-2-4-11(15(14)21)9-16-12-5-3-6-13(8-12)20-10-17-18-19-20/h2-10,21H,1H3/b16-9+
InChIKeyXXIPQEVPIDLOLA-CXUHLZMHSA-N
XLogP2.13
TPSA85.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-[[3-[3-[(2-hydroxy-3-methoxyphenyl)methylideneamino]phenyl]sulfonylphenyl]iminomethyl]-6-methoxyphenol
CID 135424005
2-methoxy-6-[[3-(trifluoromethoxy)phenyl]iminomethyl]phenol
CID 135657437
2-[(3,5-difluorophenyl)iminomethyl]-6-methoxyphenol
CID 135657433
2-[(4-bromo-3-chlorophenyl)iminomethyl]-6-methoxyphenol
CID 681274
2-methoxy-6-[[(1-phenyltetrazol-5-yl)hydrazinylidene]methyl]phenol
CID 136832260
4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-2,6-diphenylphenol
CID 136702059
2-methoxy-6-[(4-morpholin-4-ylphenyl)iminomethyl]phenol
CID 785168
2-[(E)-[(E)-(2-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]methyl]-6-methoxyphenol
CID 135473163
2-[(E)-hydroxyiminomethyl]-6-methoxyphenol
CID 135460299
3-[(2-methoxyphenyl)methylideneamino]benzoic acid
CID 961438
2-[(E)-(3,5-dimethyl-1,2,4-triazol-4-yl)iminomethyl]-6-methoxyphenol
CID 135675794
2-[[4-[4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]phenoxy]phenyl]iminomethyl]-6-methylphenol
CID 137256616

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-[[3-(tetrazol-1-yl)phenyl]iminomethyl]phenol?
The IUPAC name of 2-methoxy-6-[[3-(tetrazol-1-yl)phenyl]iminomethyl]phenol (CID 135758368) is 2-methoxy-6-[[3-(tetrazol-1-yl)phenyl]iminomethyl]phenol.
What is the SMILES notation for 2-methoxy-6-[[3-(tetrazol-1-yl)phenyl]iminomethyl]phenol?
The canonical SMILES for 2-methoxy-6-[[3-(tetrazol-1-yl)phenyl]iminomethyl]phenol is COc1cccc(/C=N/c2cccc(-n3cnnn3)c2)c1O.
What is the InChIKey of 2-methoxy-6-[[3-(tetrazol-1-yl)phenyl]iminomethyl]phenol?
The InChIKey is XXIPQEVPIDLOLA-CXUHLZMHSA-N. The full InChI is InChI=1S/C15H13N5O2/c1-22-14-7-2-4-11(15(14)21)9-16-12-5-3-6-13(8-12)20-10-17-18-19-20/h2-10,21H,1H3/b16-9+.
What are the key properties of 2-methoxy-6-[[3-(tetrazol-1-yl)phenyl]iminomethyl]phenol?
2-methoxy-6-[[3-(tetrazol-1-yl)phenyl]iminomethyl]phenol has a molecular weight of 295.30 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-[[3-(tetrazol-1-yl)phenyl]iminomethyl]phenol is sourced from PubChem (CID 135758368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).