methyl 5-[(2,5-dimethoxyphenyl)iminomethyl]-2-hydroxybenzoate

C17H17NO5 — CID 135524534

IUPACmethyl 5-[(2,5-dimethoxyphenyl)iminomethyl]-2-hydroxybenzoate
SMILESCOC(=O)c1cc(/C=N/c2cc(OC)ccc2OC)ccc1O
InChIInChI=1S/C17H17NO5/c1-21-12-5-7-16(22-2)14(9-12)18-10-11-4-6-15(19)13(8-11)17(20)23-3/h4-10,19H,1-3H3/b18-10+
InChIKeyONWIQZBAPLINCI-VCHYOVAHSA-N
MW315.33 g/mol
LogP2.95
Rot. Bonds5

About methyl 5-[(2,5-dimethoxyphenyl)iminomethyl]-2-hydroxybenzoate

methyl 5-[(2,5-dimethoxyphenyl)iminomethyl]-2-hydroxybenzoate (PubChem CID 135524534) has the molecular formula C17H17NO5 and a molecular weight of 315.33 g/mol. Its IUPAC name is methyl 5-[(2,5-dimethoxyphenyl)iminomethyl]-2-hydroxybenzoate.

Molecular Properties

Compound Namemethyl 5-[(2,5-dimethoxyphenyl)iminomethyl]-2-hydroxybenzoate
PubChem CID135524534
Molecular FormulaC17H17NO5
Molecular Weight315.33 g/mol
Exact Mass315.11
IUPAC Namemethyl 5-[(2,5-dimethoxyphenyl)iminomethyl]-2-hydroxybenzoate
SMILESCOC(=O)c1cc(/C=N/c2cc(OC)ccc2OC)ccc1O
InChIInChI=1S/C17H17NO5/c1-21-12-5-7-16(22-2)14(9-12)18-10-11-4-6-15(19)13(8-11)17(20)23-3/h4-10,19H,1-3H3/b18-10+
InChIKeyONWIQZBAPLINCI-VCHYOVAHSA-N
XLogP2.95
TPSA77.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(2,5-dimethoxyphenyl)-1-(4-methoxyphenyl)methanimine
CID 5201061
methyl 5-[[(4-formyloxyphenyl)methylidenehydrazinylidene]methyl]-2-hydroxybenzoate
CID 137120358
methyl 2-hydroxy-5-[1-[(4-hydroxy-3-methoxycarbonylphenyl)methylideneamino]ethenyliminomethyl]benzoate
CID 158303991
methyl 2-methoxy-5-[(E)-methoxyiminomethyl]benzoate
CID 90187627
2-[(2,5-dimethoxyphenyl)iminomethyl]-6-methoxyphenol
CID 135595493
5-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]-2-hydroxybenzoic acid
CID 18991498
(2,5-dimethoxybenzoyl) 2,5-dimethoxybenzoate
CID 122207257
methyl 2-(dimethylaminomethylideneamino)-4-methoxybenzoate
CID 163274673
4-bromo-2-[(2,5-dimethoxyphenyl)iminomethyl]-6-methoxyphenol
CID 135592582
2-[(2,5-dimethoxyphenyl)iminomethyl]-3-hydroxyinden-1-one
CID 135432540
5-[(2,5-dimethoxyphenyl)iminomethyl]-6-hydroxy-1H-pyrimidine-2,4-dione
CID 3248071
methyl 2-acetyloxy-5-methoxybenzoate
CID 131843602

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(2,5-dimethoxyphenyl)iminomethyl]-2-hydroxybenzoate?
The IUPAC name of methyl 5-[(2,5-dimethoxyphenyl)iminomethyl]-2-hydroxybenzoate (CID 135524534) is methyl 5-[(2,5-dimethoxyphenyl)iminomethyl]-2-hydroxybenzoate.
What is the SMILES notation for methyl 5-[(2,5-dimethoxyphenyl)iminomethyl]-2-hydroxybenzoate?
The canonical SMILES for methyl 5-[(2,5-dimethoxyphenyl)iminomethyl]-2-hydroxybenzoate is COC(=O)c1cc(/C=N/c2cc(OC)ccc2OC)ccc1O.
What is the InChIKey of methyl 5-[(2,5-dimethoxyphenyl)iminomethyl]-2-hydroxybenzoate?
The InChIKey is ONWIQZBAPLINCI-VCHYOVAHSA-N. The full InChI is InChI=1S/C17H17NO5/c1-21-12-5-7-16(22-2)14(9-12)18-10-11-4-6-15(19)13(8-11)17(20)23-3/h4-10,19H,1-3H3/b18-10+.
What are the key properties of methyl 5-[(2,5-dimethoxyphenyl)iminomethyl]-2-hydroxybenzoate?
methyl 5-[(2,5-dimethoxyphenyl)iminomethyl]-2-hydroxybenzoate has a molecular weight of 315.33 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(2,5-dimethoxyphenyl)iminomethyl]-2-hydroxybenzoate is sourced from PubChem (CID 135524534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).