4-methoxy-2-[[3-(2H-tetrazol-5-yl)phenyl]iminomethyl]phenolate

C15H12N5O2- — CID 7608921

IUPAC4-methoxy-2-[[3-(2H-tetrazol-5-yl)phenyl]iminomethyl]phenolate
SMILESCOc1ccc([O-])c(/C=N/c2cccc(-c3nn[nH]n3)c2)c1
InChIInChI=1S/C15H13N5O2/c1-22-13-5-6-14(21)11(8-13)9-16-12-4-2-3-10(7-12)15-17-19-20-18-15/h2-9,21H,1H3,(H,17,18,19,20)/p-1/b16-9+
InChIKeyHZTKJKYJYVQSFI-CXUHLZMHSA-M
MW294.29 g/mol
LogP1.70
Rot. Bonds4

About 4-methoxy-2-[[3-(2H-tetrazol-5-yl)phenyl]iminomethyl]phenolate

4-methoxy-2-[[3-(2H-tetrazol-5-yl)phenyl]iminomethyl]phenolate (PubChem CID 7608921) has the molecular formula C15H12N5O2- and a molecular weight of 294.29 g/mol. Its IUPAC name is 4-methoxy-2-[[3-(2H-tetrazol-5-yl)phenyl]iminomethyl]phenolate.

Molecular Properties

Compound Name4-methoxy-2-[[3-(2H-tetrazol-5-yl)phenyl]iminomethyl]phenolate
PubChem CID7608921
Molecular FormulaC15H12N5O2-
Molecular Weight294.29 g/mol
Exact Mass294.10
IUPAC Name4-methoxy-2-[[3-(2H-tetrazol-5-yl)phenyl]iminomethyl]phenolate
SMILESCOc1ccc([O-])c(/C=N/c2cccc(-c3nn[nH]n3)c2)c1
InChIInChI=1S/C15H13N5O2/c1-22-13-5-6-14(21)11(8-13)9-16-12-4-2-3-10(7-12)15-17-19-20-18-15/h2-9,21H,1H3,(H,17,18,19,20)/p-1/b16-9+
InChIKeyHZTKJKYJYVQSFI-CXUHLZMHSA-M
XLogP1.70
TPSA99.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.29
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-(3-isothiocyanatophenyl)-2H-tetrazole
CID 88852474
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1-[3-[(2-hydroxy-5-methoxyphenyl)methylideneamino]phenyl]ethanone
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1-[3-[(2,5-dimethoxyphenyl)methylideneamino]phenyl]ethanone
CID 874944
5-(2,4-dimethoxyphenyl)-2H-tetrazole
CID 82077250
(E)-1-(4-methoxyphenyl)-N-(2H-tetrazol-5-yl)methanimine
CID 10798180
5-(3-methoxyphenyl)-2-(2H-tetrazol-5-ylmethyl)tetrazole
CID 861082
N-[(4-methoxyphenyl)methyl]-6-phenyl-4-(2H-tetrazol-5-yl)pyridin-2-amine
CID 166085594
1-(4-methoxyphenyl)-N-[3-[(4-methoxyphenyl)methylideneamino]phenyl]methanimine
CID 18527961
5-(3-methylphenyl)-2H-tetrazole;bis(5-(4-methylphenyl)-2H-tetrazole)
CID 157257840
3-[(2-hydroxy-5-methoxyphenyl)methylideneamino]-N-methylbenzamide
CID 135758537
5-[3-(2-methoxyphenyl)phenyl]-2H-tetrazole;2-[3-(2H-tetrazol-5-yl)phenyl]phenol
CID 161184284

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[[3-(2H-tetrazol-5-yl)phenyl]iminomethyl]phenolate?
The IUPAC name of 4-methoxy-2-[[3-(2H-tetrazol-5-yl)phenyl]iminomethyl]phenolate (CID 7608921) is 4-methoxy-2-[[3-(2H-tetrazol-5-yl)phenyl]iminomethyl]phenolate.
What is the SMILES notation for 4-methoxy-2-[[3-(2H-tetrazol-5-yl)phenyl]iminomethyl]phenolate?
The canonical SMILES for 4-methoxy-2-[[3-(2H-tetrazol-5-yl)phenyl]iminomethyl]phenolate is COc1ccc([O-])c(/C=N/c2cccc(-c3nn[nH]n3)c2)c1.
What is the InChIKey of 4-methoxy-2-[[3-(2H-tetrazol-5-yl)phenyl]iminomethyl]phenolate?
The InChIKey is HZTKJKYJYVQSFI-CXUHLZMHSA-M. The full InChI is InChI=1S/C15H13N5O2/c1-22-13-5-6-14(21)11(8-13)9-16-12-4-2-3-10(7-12)15-17-19-20-18-15/h2-9,21H,1H3,(H,17,18,19,20)/p-1/b16-9+.
What are the key properties of 4-methoxy-2-[[3-(2H-tetrazol-5-yl)phenyl]iminomethyl]phenolate?
4-methoxy-2-[[3-(2H-tetrazol-5-yl)phenyl]iminomethyl]phenolate has a molecular weight of 294.29 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[[3-(2H-tetrazol-5-yl)phenyl]iminomethyl]phenolate is sourced from PubChem (CID 7608921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).