methyl 5-[[(4-formyloxyphenyl)methylidenehydrazinylidene]methyl]-2-hydroxybenzoate

C17H14N2O5 — CID 137120358

IUPACmethyl 5-[[(4-formyloxyphenyl)methylidenehydrazinylidene]methyl]-2-hydroxybenzoate
SMILESCOC(=O)c1cc(C=NN=Cc2ccc(OC=O)cc2)ccc1O
InChIInChI=1S/C17H14N2O5/c1-23-17(22)15-8-13(4-7-16(15)21)10-19-18-9-12-2-5-14(6-3-12)24-11-20/h2-11,21H,1H3
InChIKeyQPERRYHBBTXNSH-UHFFFAOYSA-N
MW326.31 g/mol
LogP2.17
Rot. Bonds6

About methyl 5-[[(4-formyloxyphenyl)methylidenehydrazinylidene]methyl]-2-hydroxybenzoate

methyl 5-[[(4-formyloxyphenyl)methylidenehydrazinylidene]methyl]-2-hydroxybenzoate (PubChem CID 137120358) has the molecular formula C17H14N2O5 and a molecular weight of 326.31 g/mol. Its IUPAC name is methyl 5-[[(4-formyloxyphenyl)methylidenehydrazinylidene]methyl]-2-hydroxybenzoate.

Molecular Properties

Compound Namemethyl 5-[[(4-formyloxyphenyl)methylidenehydrazinylidene]methyl]-2-hydroxybenzoate
PubChem CID137120358
Molecular FormulaC17H14N2O5
Molecular Weight326.31 g/mol
Exact Mass326.09
IUPAC Namemethyl 5-[[(4-formyloxyphenyl)methylidenehydrazinylidene]methyl]-2-hydroxybenzoate
SMILESCOC(=O)c1cc(C=NN=Cc2ccc(OC=O)cc2)ccc1O
InChIInChI=1S/C17H14N2O5/c1-23-17(22)15-8-13(4-7-16(15)21)10-19-18-9-12-2-5-14(6-3-12)24-11-20/h2-11,21H,1H3
InChIKeyQPERRYHBBTXNSH-UHFFFAOYSA-N
XLogP2.17
TPSA97.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.31
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze methyl 5-[[(4-formyloxyphenyl)methylidenehydrazinylidene]methyl]-2-hydroxybenzoate 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

methyl 2-hydroxy-5-[1-[(4-hydroxy-3-methoxycarbonylphenyl)methylideneamino]ethenyliminomethyl]benzoate
CID 158303991
methyl 5-[(2,5-dimethoxyphenyl)iminomethyl]-2-hydroxybenzoate
CID 135524534
methyl 5-[(2-amino-4-methylimidazol-1-yl)iminomethyl]-2-hydroxybenzoate
CID 168628598
dimethyl 4-[2-(3,4-dihydroxyphenyl)ethenyl]benzene-1,2-dicarboxylate
CID 68979192
2-hydroxy-5-[(E)-methoxyiminomethyl]benzoic acid
CID 135598743
methyl 2-chloro-5-(hydroxyiminomethyl)benzoate
CID 118418732
dimethyl 4-hydroxybenzene-1,3-dicarboxylate;ethane
CID 143860036
methyl 2-methoxy-5-[(E)-methoxyiminomethyl]benzoate
CID 90187627
methyl 5-(3-formylphenyl)-2-hydroxybenzoate
CID 5105759
2-hydroxy-5-[2-[(4-methoxyphenyl)methylidene]hydrazinyl]benzoic acid
CID 50885253
N-(4-formylphenyl)-2-hydroxy-5-methoxybenzamide
CID 106912375
2-hydroxy-1-[2-hydroxy-5-[[(4-hydroxy-3,5-dimethylphenyl)methylidenehydrazinylidene]methyl]phenyl]ethanone
CID 137037352

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[(4-formyloxyphenyl)methylidenehydrazinylidene]methyl]-2-hydroxybenzoate?
The IUPAC name of methyl 5-[[(4-formyloxyphenyl)methylidenehydrazinylidene]methyl]-2-hydroxybenzoate (CID 137120358) is methyl 5-[[(4-formyloxyphenyl)methylidenehydrazinylidene]methyl]-2-hydroxybenzoate.
What is the SMILES notation for methyl 5-[[(4-formyloxyphenyl)methylidenehydrazinylidene]methyl]-2-hydroxybenzoate?
The canonical SMILES for methyl 5-[[(4-formyloxyphenyl)methylidenehydrazinylidene]methyl]-2-hydroxybenzoate is COC(=O)c1cc(C=NN=Cc2ccc(OC=O)cc2)ccc1O.
What is the InChIKey of methyl 5-[[(4-formyloxyphenyl)methylidenehydrazinylidene]methyl]-2-hydroxybenzoate?
The InChIKey is QPERRYHBBTXNSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O5/c1-23-17(22)15-8-13(4-7-16(15)21)10-19-18-9-12-2-5-14(6-3-12)24-11-20/h2-11,21H,1H3.
What are the key properties of methyl 5-[[(4-formyloxyphenyl)methylidenehydrazinylidene]methyl]-2-hydroxybenzoate?
methyl 5-[[(4-formyloxyphenyl)methylidenehydrazinylidene]methyl]-2-hydroxybenzoate has a molecular weight of 326.31 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[(4-formyloxyphenyl)methylidenehydrazinylidene]methyl]-2-hydroxybenzoate is sourced from PubChem (CID 137120358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).