2-[2-(4-chlorophenyl)-2-methoxyiminoethyl]benzoic acid

C16H14ClNO3 — CID 57402349

IUPAC2-[2-(4-chlorophenyl)-2-methoxyiminoethyl]benzoic acid
SMILESCON=C(Cc1ccccc1C(=O)O)c1ccc(Cl)cc1
InChIInChI=1S/C16H14ClNO3/c1-21-18-15(11-6-8-13(17)9-7-11)10-12-4-2-3-5-14(12)16(19)20/h2-9H,10H2,1H3,(H,19,20)
InChIKeyJKBVGRLTGNNWLG-UHFFFAOYSA-N
MW303.75 g/mol
LogP3.63
Rot. Bonds5

About 2-[2-(4-chlorophenyl)-2-methoxyiminoethyl]benzoic acid

2-[2-(4-chlorophenyl)-2-methoxyiminoethyl]benzoic acid (PubChem CID 57402349) has the molecular formula C16H14ClNO3 and a molecular weight of 303.75 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)-2-methoxyiminoethyl]benzoic acid.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)-2-methoxyiminoethyl]benzoic acid
PubChem CID57402349
Molecular FormulaC16H14ClNO3
Molecular Weight303.75 g/mol
Exact Mass303.07
IUPAC Name2-[2-(4-chlorophenyl)-2-methoxyiminoethyl]benzoic acid
SMILESCON=C(Cc1ccccc1C(=O)O)c1ccc(Cl)cc1
InChIInChI=1S/C16H14ClNO3/c1-21-18-15(11-6-8-13(17)9-7-11)10-12-4-2-3-5-14(12)16(19)20/h2-9H,10H2,1H3,(H,19,20)
InChIKeyJKBVGRLTGNNWLG-UHFFFAOYSA-N
XLogP3.63
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[2-(4-chlorophenyl)-2-methoxyiminoethyl]benzoic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)-2-methoxyiminoethyl]benzoic acid?
The IUPAC name of 2-[2-(4-chlorophenyl)-2-methoxyiminoethyl]benzoic acid (CID 57402349) is 2-[2-(4-chlorophenyl)-2-methoxyiminoethyl]benzoic acid.
What is the SMILES notation for 2-[2-(4-chlorophenyl)-2-methoxyiminoethyl]benzoic acid?
The canonical SMILES for 2-[2-(4-chlorophenyl)-2-methoxyiminoethyl]benzoic acid is CON=C(Cc1ccccc1C(=O)O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[2-(4-chlorophenyl)-2-methoxyiminoethyl]benzoic acid?
The InChIKey is JKBVGRLTGNNWLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO3/c1-21-18-15(11-6-8-13(17)9-7-11)10-12-4-2-3-5-14(12)16(19)20/h2-9H,10H2,1H3,(H,19,20).
What are the key properties of 2-[2-(4-chlorophenyl)-2-methoxyiminoethyl]benzoic acid?
2-[2-(4-chlorophenyl)-2-methoxyiminoethyl]benzoic acid has a molecular weight of 303.75 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)-2-methoxyiminoethyl]benzoic acid is sourced from PubChem (CID 57402349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).