3-hydroxy-2-[(2-hydroxyphenyl)iminomethyl]inden-1-one

C16H11NO3 — CID 135450216

IUPAC3-hydroxy-2-[(2-hydroxyphenyl)iminomethyl]inden-1-one
SMILESO=C1C(/C=N/c2ccccc2O)=C(O)c2ccccc21
InChIInChI=1S/C16H11NO3/c18-14-8-4-3-7-13(14)17-9-12-15(19)10-5-1-2-6-11(10)16(12)20/h1-9,18-19H/b17-9+
InChIKeyJZLYNIACPQFENR-RQZCQDPDSA-N
MW265.27 g/mol
LogP3.26
Rot. Bonds2

About 3-hydroxy-2-[(2-hydroxyphenyl)iminomethyl]inden-1-one

3-hydroxy-2-[(2-hydroxyphenyl)iminomethyl]inden-1-one (PubChem CID 135450216) has the molecular formula C16H11NO3 and a molecular weight of 265.27 g/mol. Its IUPAC name is 3-hydroxy-2-[(2-hydroxyphenyl)iminomethyl]inden-1-one.

Molecular Properties

Compound Name3-hydroxy-2-[(2-hydroxyphenyl)iminomethyl]inden-1-one
PubChem CID135450216
Molecular FormulaC16H11NO3
Molecular Weight265.27 g/mol
Exact Mass265.07
IUPAC Name3-hydroxy-2-[(2-hydroxyphenyl)iminomethyl]inden-1-one
SMILESO=C1C(/C=N/c2ccccc2O)=C(O)c2ccccc21
InChIInChI=1S/C16H11NO3/c18-14-8-4-3-7-13(14)17-9-12-15(19)10-5-1-2-6-11(10)16(12)20/h1-9,18-19H/b17-9+
InChIKeyJZLYNIACPQFENR-RQZCQDPDSA-N
XLogP3.26
TPSA69.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_C(7)', 'substructure': 'N/A'}, {'alert_name': 'imine_phenol_A(3)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1H-Indene-1,3(2H)-dione, 2-((phenylamino)methylene)-
CID 135416862
2-[1-(2-Hydroxyanilino)propylidene]-5-phenylcyclohexane-1,3-dione
CID 135430044
4'-(2-Hydroxybenzylideneamino)acetophenone
CID 136627
Alpha-(3-acetylphenylimino)-O-cresol
CID 272275
1H-Indene-1,3(2H)-dione, 2-[[(methylphenyl)amino]methylene]-
CID 135436083
2-{[(4-fluorophenyl)amino]methylidene}-2,3-dihydro-1H-indene-1,3-dione
CID 135455120
2-[(2-Hydroxy-5-methylanilino)methylidene]indene-1,3-dione
CID 135406177
2-[(2-hydroxyphenyl)imino]-1H-indene-1,3(2H)-dione
CID 698892
2-{[(2-Hydroxyphenyl)amino]methylene}-5-phenyl-1,3-cyclohexanedione
CID 135406759
1H-Indene-1,3(2H)-dione, 2-[[(4-methoxyphenyl)amino]methylene]-
CID 135433820
2-[(2-Hydroxyphenyl)iminomethyl]benzoic acid
CID 15789821
4-{(E)-[(2-hydroxyphenyl)imino]methyl}benzoic acid
CID 91021585

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-[(2-hydroxyphenyl)iminomethyl]inden-1-one?
The IUPAC name of 3-hydroxy-2-[(2-hydroxyphenyl)iminomethyl]inden-1-one (CID 135450216) is 3-hydroxy-2-[(2-hydroxyphenyl)iminomethyl]inden-1-one.
What is the SMILES notation for 3-hydroxy-2-[(2-hydroxyphenyl)iminomethyl]inden-1-one?
The canonical SMILES for 3-hydroxy-2-[(2-hydroxyphenyl)iminomethyl]inden-1-one is O=C1C(/C=N/c2ccccc2O)=C(O)c2ccccc21.
What is the InChIKey of 3-hydroxy-2-[(2-hydroxyphenyl)iminomethyl]inden-1-one?
The InChIKey is JZLYNIACPQFENR-RQZCQDPDSA-N. The full InChI is InChI=1S/C16H11NO3/c18-14-8-4-3-7-13(14)17-9-12-15(19)10-5-1-2-6-11(10)16(12)20/h1-9,18-19H/b17-9+.
What are the key properties of 3-hydroxy-2-[(2-hydroxyphenyl)iminomethyl]inden-1-one?
3-hydroxy-2-[(2-hydroxyphenyl)iminomethyl]inden-1-one has a molecular weight of 265.27 g/mol, XLogP of 3.26, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-[(2-hydroxyphenyl)iminomethyl]inden-1-one is sourced from PubChem (CID 135450216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).