3-hydroxy-2-[(2-hydroxy-5-methylphenyl)iminomethyl]inden-1-one

C17H13NO3 — CID 135406177

IUPAC3-hydroxy-2-[(2-hydroxy-5-methylphenyl)iminomethyl]inden-1-one
SMILESCc1ccc(O)c(/N=C/C2=C(O)c3ccccc3C2=O)c1
InChIInChI=1S/C17H13NO3/c1-10-6-7-15(19)14(8-10)18-9-13-16(20)11-4-2-3-5-12(11)17(13)21/h2-9,19-20H,1H3/b18-9+
InChIKeyJJRIQRCVPQBBSO-GIJQJNRQSA-N
MW279.30 g/mol
LogP3.57
Rot. Bonds2

About 3-hydroxy-2-[(2-hydroxy-5-methylphenyl)iminomethyl]inden-1-one

3-hydroxy-2-[(2-hydroxy-5-methylphenyl)iminomethyl]inden-1-one (PubChem CID 135406177) has the molecular formula C17H13NO3 and a molecular weight of 279.30 g/mol. Its IUPAC name is 3-hydroxy-2-[(2-hydroxy-5-methylphenyl)iminomethyl]inden-1-one.

Molecular Properties

Compound Name3-hydroxy-2-[(2-hydroxy-5-methylphenyl)iminomethyl]inden-1-one
PubChem CID135406177
Molecular FormulaC17H13NO3
Molecular Weight279.30 g/mol
Exact Mass279.09
IUPAC Name3-hydroxy-2-[(2-hydroxy-5-methylphenyl)iminomethyl]inden-1-one
SMILESCc1ccc(O)c(/N=C/C2=C(O)c3ccccc3C2=O)c1
InChIInChI=1S/C17H13NO3/c1-10-6-7-15(19)14(8-10)18-9-13-16(20)11-4-2-3-5-12(11)17(13)21/h2-9,19-20H,1H3/b18-9+
InChIKeyJJRIQRCVPQBBSO-GIJQJNRQSA-N
XLogP3.57
TPSA69.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 53.57
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'}

Analyze 3-hydroxy-2-[(2-hydroxy-5-methylphenyl)iminomethyl]inden-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1H-Indene-1,3(2H)-dione, 2-((phenylamino)methylene)-
CID 135416862
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-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-Hydroxyanilino)methylidene]indene-1,3-dione
CID 135450216
2-[(2-Hydroxyphenyl)iminomethyl]benzoic acid
CID 15789821
4-{(E)-[(2-hydroxyphenyl)imino]methyl}benzoic acid
CID 91021585
3-[(2-Hydroxy-5-methylphenyl)iminomethyl]chromen-4-one
CID 137660963
2-({[3-(trifluoromethyl)phenyl]amino}methylidene)-1H-indene-1,3(2H)-dione
CID 135442002

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-[(2-hydroxy-5-methylphenyl)iminomethyl]inden-1-one?
The IUPAC name of 3-hydroxy-2-[(2-hydroxy-5-methylphenyl)iminomethyl]inden-1-one (CID 135406177) is 3-hydroxy-2-[(2-hydroxy-5-methylphenyl)iminomethyl]inden-1-one.
What is the SMILES notation for 3-hydroxy-2-[(2-hydroxy-5-methylphenyl)iminomethyl]inden-1-one?
The canonical SMILES for 3-hydroxy-2-[(2-hydroxy-5-methylphenyl)iminomethyl]inden-1-one is Cc1ccc(O)c(/N=C/C2=C(O)c3ccccc3C2=O)c1.
What is the InChIKey of 3-hydroxy-2-[(2-hydroxy-5-methylphenyl)iminomethyl]inden-1-one?
The InChIKey is JJRIQRCVPQBBSO-GIJQJNRQSA-N. The full InChI is InChI=1S/C17H13NO3/c1-10-6-7-15(19)14(8-10)18-9-13-16(20)11-4-2-3-5-12(11)17(13)21/h2-9,19-20H,1H3/b18-9+.
What are the key properties of 3-hydroxy-2-[(2-hydroxy-5-methylphenyl)iminomethyl]inden-1-one?
3-hydroxy-2-[(2-hydroxy-5-methylphenyl)iminomethyl]inden-1-one has a molecular weight of 279.30 g/mol, XLogP of 3.57, 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-hydroxy-5-methylphenyl)iminomethyl]inden-1-one is sourced from PubChem (CID 135406177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).