2-ethoxy-6-(1H-indazol-5-yliminomethyl)phenol

C16H15N3O2 — CID 795030

IUPAC2-ethoxy-6-(1H-indazol-5-yliminomethyl)phenol
SMILESCCOc1cccc(/C=N/c2ccc3[nH]ncc3c2)c1O
InChIInChI=1S/C16H15N3O2/c1-2-21-15-5-3-4-11(16(15)20)9-17-13-6-7-14-12(8-13)10-18-19-14/h3-10,20H,2H2,1H3,(H,18,19)/b17-9+
InChIKeyKXFRSXWGDNLXME-RQZCQDPDSA-N
MW281.32 g/mol
LogP3.42
Rot. Bonds4

About 2-ethoxy-6-(1H-indazol-5-yliminomethyl)phenol

2-ethoxy-6-(1H-indazol-5-yliminomethyl)phenol (PubChem CID 795030) has the molecular formula C16H15N3O2 and a molecular weight of 281.32 g/mol. Its IUPAC name is 2-ethoxy-6-(1H-indazol-5-yliminomethyl)phenol.

Molecular Properties

Compound Name2-ethoxy-6-(1H-indazol-5-yliminomethyl)phenol
PubChem CID795030
Molecular FormulaC16H15N3O2
Molecular Weight281.32 g/mol
Exact Mass281.12
IUPAC Name2-ethoxy-6-(1H-indazol-5-yliminomethyl)phenol
SMILESCCOc1cccc(/C=N/c2ccc3[nH]ncc3c2)c1O
InChIInChI=1S/C16H15N3O2/c1-2-21-15-5-3-4-11(16(15)20)9-17-13-6-7-14-12(8-13)10-18-19-14/h3-10,20H,2H2,1H3,(H,18,19)/b17-9+
InChIKeyKXFRSXWGDNLXME-RQZCQDPDSA-N
XLogP3.42
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1H-indazol-6-yl]-2-methoxyphenol
CID 135839302
5-(benzyloxy)-1H-indazole
CID 12798088
2-[(1H-indazol-5-ylimino)methyl]-5-methoxyphenol
CID 795042
6-(3-ethoxyphenyl)-1H-indazole
CID 145952450
2-[5-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]-2-methylphenoxy]ethanol
CID 25009895
2-(2-hydroxyethoxy)-4-[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]phenol
CID 135839318
2-ethoxy-4-[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]phenol
CID 135839325
2-methoxy-4-(3-phenyl-1H-indazol-6-yl)phenol
CID 135839326
4-[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]-2-phenylmethoxyphenol
CID 135839334
4-[3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1H-indazol-6-yl]-2-prop-2-enoxyphenol
CID 136164948
6-(3-ethoxy-2-fluorophenyl)-1H-indazole
CID 145949598
1-(1H-indazol-5-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol
CID 72710964

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-6-(1H-indazol-5-yliminomethyl)phenol?
The IUPAC name of 2-ethoxy-6-(1H-indazol-5-yliminomethyl)phenol (CID 795030) is 2-ethoxy-6-(1H-indazol-5-yliminomethyl)phenol.
What is the SMILES notation for 2-ethoxy-6-(1H-indazol-5-yliminomethyl)phenol?
The canonical SMILES for 2-ethoxy-6-(1H-indazol-5-yliminomethyl)phenol is CCOc1cccc(/C=N/c2ccc3[nH]ncc3c2)c1O.
What is the InChIKey of 2-ethoxy-6-(1H-indazol-5-yliminomethyl)phenol?
The InChIKey is KXFRSXWGDNLXME-RQZCQDPDSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-2-21-15-5-3-4-11(16(15)20)9-17-13-6-7-14-12(8-13)10-18-19-14/h3-10,20H,2H2,1H3,(H,18,19)/b17-9+.
What are the key properties of 2-ethoxy-6-(1H-indazol-5-yliminomethyl)phenol?
2-ethoxy-6-(1H-indazol-5-yliminomethyl)phenol has a molecular weight of 281.32 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-6-(1H-indazol-5-yliminomethyl)phenol is sourced from PubChem (CID 795030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).