ethyl 2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]benzoate

C17H17NO4 — CID 135657427

IUPACethyl 2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]benzoate
SMILESCCOC(=O)c1ccccc1/N=C/c1cccc(OC)c1O
InChIInChI=1S/C17H17NO4/c1-3-22-17(20)13-8-4-5-9-14(13)18-11-12-7-6-10-15(21-2)16(12)19/h4-11,19H,3H2,1-2H3/b18-11+
InChIKeyCTQNILWLVYXCLA-WOJGMQOQSA-N
MW299.33 g/mol
LogP3.33
Rot. Bonds5

About ethyl 2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]benzoate

ethyl 2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]benzoate (PubChem CID 135657427) has the molecular formula C17H17NO4 and a molecular weight of 299.33 g/mol. Its IUPAC name is ethyl 2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]benzoate.

Molecular Properties

Compound Nameethyl 2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]benzoate
PubChem CID135657427
Molecular FormulaC17H17NO4
Molecular Weight299.33 g/mol
Exact Mass299.12
IUPAC Nameethyl 2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]benzoate
SMILESCCOC(=O)c1ccccc1/N=C/c1cccc(OC)c1O
InChIInChI=1S/C17H17NO4/c1-3-22-17(20)13-8-4-5-9-14(13)18-11-12-7-6-10-15(21-2)16(12)19/h4-11,19H,3H2,1-2H3/b18-11+
InChIKeyCTQNILWLVYXCLA-WOJGMQOQSA-N
XLogP3.33
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]carbamate
CID 135458848
2-methoxy-6-[(2-methylsulfanylphenyl)iminomethyl]phenol
CID 135595546
ethyl 4-cyano-5-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-3-methylthiophene-2-carboxylate
CID 135579132
2-[(2-ethoxyphenyl)methylideneamino]benzamide
CID 969228
2-[[1-[2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]iminomethyl]-6-methoxyphenol
CID 135858781
2-hydroxy-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-3-methoxybenzamide
CID 136706071
(E)-(2-hydroxy-3-methoxyphenyl)methylideneurea
CID 137275710
ethyl 2-[2-[(3-chloro-2-hydroxyphenyl)methylideneamino]-4-(trifluoromethyl)phenoxy]benzoate
CID 136916347
4-[[2-methoxy-6-[(2-methoxycarbonylphenyl)iminomethyl]phenoxy]methyl]benzoic acid
CID 126192850
2-ethoxy-6-[(2-iodophenyl)iminomethyl]phenol
CID 135595102
2-[(4-fluoro-2-methylphenyl)iminomethyl]-6-methoxyphenol
CID 135596113
2-[(2-amino-4,5-dinitrophenyl)iminomethyl]-6-methoxyphenol
CID 136750024

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]benzoate?
The IUPAC name of ethyl 2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]benzoate (CID 135657427) is ethyl 2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]benzoate.
What is the SMILES notation for ethyl 2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]benzoate?
The canonical SMILES for ethyl 2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]benzoate is CCOC(=O)c1ccccc1/N=C/c1cccc(OC)c1O.
What is the InChIKey of ethyl 2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]benzoate?
The InChIKey is CTQNILWLVYXCLA-WOJGMQOQSA-N. The full InChI is InChI=1S/C17H17NO4/c1-3-22-17(20)13-8-4-5-9-14(13)18-11-12-7-6-10-15(21-2)16(12)19/h4-11,19H,3H2,1-2H3/b18-11+.
What are the key properties of ethyl 2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]benzoate?
ethyl 2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]benzoate has a molecular weight of 299.33 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]benzoate is sourced from PubChem (CID 135657427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).