2-[[2-[(3-methylphenyl)methoxy]-4-phenylphenyl]methylideneamino]oxyacetic acid

C23H21NO4 — CID 90918606

IUPAC2-[[2-[(3-methylphenyl)methoxy]-4-phenylphenyl]methylideneamino]oxyacetic acid
SMILESCc1cccc(COc2cc(-c3ccccc3)ccc2C=NOCC(=O)O)c1
InChIInChI=1S/C23H21NO4/c1-17-6-5-7-18(12-17)15-27-22-13-20(19-8-3-2-4-9-19)10-11-21(22)14-24-28-16-23(25)26/h2-14H,15-16H2,1H3,(H,25,26)
InChIKeyLSHHYNOEQWFFKF-UHFFFAOYSA-N
MW375.42 g/mol
LogP4.68
Rot. Bonds8

About 2-[[2-[(3-methylphenyl)methoxy]-4-phenylphenyl]methylideneamino]oxyacetic acid

2-[[2-[(3-methylphenyl)methoxy]-4-phenylphenyl]methylideneamino]oxyacetic acid (PubChem CID 90918606) has the molecular formula C23H21NO4 and a molecular weight of 375.42 g/mol. Its IUPAC name is 2-[[2-[(3-methylphenyl)methoxy]-4-phenylphenyl]methylideneamino]oxyacetic acid.

Molecular Properties

Compound Name2-[[2-[(3-methylphenyl)methoxy]-4-phenylphenyl]methylideneamino]oxyacetic acid
PubChem CID90918606
Molecular FormulaC23H21NO4
Molecular Weight375.42 g/mol
Exact Mass375.15
IUPAC Name2-[[2-[(3-methylphenyl)methoxy]-4-phenylphenyl]methylideneamino]oxyacetic acid
SMILESCc1cccc(COc2cc(-c3ccccc3)ccc2C=NOCC(=O)O)c1
InChIInChI=1S/C23H21NO4/c1-17-6-5-7-18(12-17)15-27-22-13-20(19-8-3-2-4-9-19)10-11-21(22)14-24-28-16-23(25)26/h2-14H,15-16H2,1H3,(H,25,26)
InChIKeyLSHHYNOEQWFFKF-UHFFFAOYSA-N
XLogP4.68
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.42
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(3-methylphenyl)methoxy]-4-phenylphenyl]methylideneamino]oxyacetic acid?
The IUPAC name of 2-[[2-[(3-methylphenyl)methoxy]-4-phenylphenyl]methylideneamino]oxyacetic acid (CID 90918606) is 2-[[2-[(3-methylphenyl)methoxy]-4-phenylphenyl]methylideneamino]oxyacetic acid.
What is the SMILES notation for 2-[[2-[(3-methylphenyl)methoxy]-4-phenylphenyl]methylideneamino]oxyacetic acid?
The canonical SMILES for 2-[[2-[(3-methylphenyl)methoxy]-4-phenylphenyl]methylideneamino]oxyacetic acid is Cc1cccc(COc2cc(-c3ccccc3)ccc2C=NOCC(=O)O)c1.
What is the InChIKey of 2-[[2-[(3-methylphenyl)methoxy]-4-phenylphenyl]methylideneamino]oxyacetic acid?
The InChIKey is LSHHYNOEQWFFKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO4/c1-17-6-5-7-18(12-17)15-27-22-13-20(19-8-3-2-4-9-19)10-11-21(22)14-24-28-16-23(25)26/h2-14H,15-16H2,1H3,(H,25,26).
What are the key properties of 2-[[2-[(3-methylphenyl)methoxy]-4-phenylphenyl]methylideneamino]oxyacetic acid?
2-[[2-[(3-methylphenyl)methoxy]-4-phenylphenyl]methylideneamino]oxyacetic acid has a molecular weight of 375.42 g/mol, XLogP of 4.68, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(3-methylphenyl)methoxy]-4-phenylphenyl]methylideneamino]oxyacetic acid is sourced from PubChem (CID 90918606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).