5-[(2-hydroxyphenyl)methylideneamino]-2-(2-methoxyethoxy)benzoic acid

C17H17NO5 — CID 2725657

IUPAC5-[(2-hydroxyphenyl)methylideneamino]-2-(2-methoxyethoxy)benzoic acid
SMILESCOCCOc1ccc(/N=C/c2ccccc2O)cc1C(=O)O
InChIInChI=1S/C17H17NO5/c1-22-8-9-23-16-7-6-13(10-14(16)17(20)21)18-11-12-4-2-3-5-15(12)19/h2-7,10-11,19H,8-9H2,1H3,(H,20,21)/b18-11+
InChIKeyRIMVWHPNRMOADG-WOJGMQOQSA-N
MW315.32 g/mol
LogP2.87
Rot. Bonds7

About 5-[(2-hydroxyphenyl)methylideneamino]-2-(2-methoxyethoxy)benzoic acid

5-[(2-hydroxyphenyl)methylideneamino]-2-(2-methoxyethoxy)benzoic acid (PubChem CID 2725657) has the molecular formula C17H17NO5 and a molecular weight of 315.32 g/mol. Its IUPAC name is 5-[(2-hydroxyphenyl)methylideneamino]-2-(2-methoxyethoxy)benzoic acid.

Molecular Properties

Compound Name5-[(2-hydroxyphenyl)methylideneamino]-2-(2-methoxyethoxy)benzoic acid
PubChem CID2725657
Molecular FormulaC17H17NO5
Molecular Weight315.32 g/mol
Exact Mass315.11
IUPAC Name5-[(2-hydroxyphenyl)methylideneamino]-2-(2-methoxyethoxy)benzoic acid
SMILESCOCCOc1ccc(/N=C/c2ccccc2O)cc1C(=O)O
InChIInChI=1S/C17H17NO5/c1-22-8-9-23-16-7-6-13(10-14(16)17(20)21)18-11-12-4-2-3-5-15(12)19/h2-7,10-11,19H,8-9H2,1H3,(H,20,21)/b18-11+
InChIKeyRIMVWHPNRMOADG-WOJGMQOQSA-N
XLogP2.87
TPSA88.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.32
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-hydroxyphenyl)methylideneamino]-2-(2-methoxyethoxy)benzoic acid?
The IUPAC name of 5-[(2-hydroxyphenyl)methylideneamino]-2-(2-methoxyethoxy)benzoic acid (CID 2725657) is 5-[(2-hydroxyphenyl)methylideneamino]-2-(2-methoxyethoxy)benzoic acid.
What is the SMILES notation for 5-[(2-hydroxyphenyl)methylideneamino]-2-(2-methoxyethoxy)benzoic acid?
The canonical SMILES for 5-[(2-hydroxyphenyl)methylideneamino]-2-(2-methoxyethoxy)benzoic acid is COCCOc1ccc(/N=C/c2ccccc2O)cc1C(=O)O.
What is the InChIKey of 5-[(2-hydroxyphenyl)methylideneamino]-2-(2-methoxyethoxy)benzoic acid?
The InChIKey is RIMVWHPNRMOADG-WOJGMQOQSA-N. The full InChI is InChI=1S/C17H17NO5/c1-22-8-9-23-16-7-6-13(10-14(16)17(20)21)18-11-12-4-2-3-5-15(12)19/h2-7,10-11,19H,8-9H2,1H3,(H,20,21)/b18-11+.
What are the key properties of 5-[(2-hydroxyphenyl)methylideneamino]-2-(2-methoxyethoxy)benzoic acid?
5-[(2-hydroxyphenyl)methylideneamino]-2-(2-methoxyethoxy)benzoic acid has a molecular weight of 315.32 g/mol, XLogP of 2.87, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-hydroxyphenyl)methylideneamino]-2-(2-methoxyethoxy)benzoic acid is sourced from PubChem (CID 2725657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).