2-[4-[(E)-[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]phenoxy]acetic acid

C23H20N2O5 — CID 5344603

IUPAC2-[4-[(E)-[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]phenoxy]acetic acid
SMILESO=C(O)COc1ccc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H20N2O5/c26-21(27)16-30-20-13-11-17(12-14-20)15-24-25-22(28)23(29,18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-15,29H,16H2,(H,25,28)(H,26,27)/b24-15+
InChIKeyFIEOYOITLTVWPQ-BUVRLJJBSA-N
MW404.42 g/mol
LogP2.54
Rot. Bonds8

About 2-[4-[(E)-[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]phenoxy]acetic acid

2-[4-[(E)-[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]phenoxy]acetic acid (PubChem CID 5344603) has the molecular formula C23H20N2O5 and a molecular weight of 404.42 g/mol. Its IUPAC name is 2-[4-[(E)-[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[(E)-[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]phenoxy]acetic acid
PubChem CID5344603
Molecular FormulaC23H20N2O5
Molecular Weight404.42 g/mol
Exact Mass404.14
IUPAC Name2-[4-[(E)-[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]phenoxy]acetic acid
SMILESO=C(O)COc1ccc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H20N2O5/c26-21(27)16-30-20-13-11-17(12-14-20)15-24-25-22(28)23(29,18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-15,29H,16H2,(H,25,28)(H,26,27)/b24-15+
InChIKeyFIEOYOITLTVWPQ-BUVRLJJBSA-N
XLogP2.54
TPSA108.22 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.42
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-[4-[(E)-[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]phenoxy]acetic acid?
The IUPAC name of 2-[4-[(E)-[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]phenoxy]acetic acid (CID 5344603) is 2-[4-[(E)-[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[4-[(E)-[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]phenoxy]acetic acid?
The canonical SMILES for 2-[4-[(E)-[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]phenoxy]acetic acid is O=C(O)COc1ccc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 2-[4-[(E)-[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]phenoxy]acetic acid?
The InChIKey is FIEOYOITLTVWPQ-BUVRLJJBSA-N. The full InChI is InChI=1S/C23H20N2O5/c26-21(27)16-30-20-13-11-17(12-14-20)15-24-25-22(28)23(29,18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-15,29H,16H2,(H,25,28)(H,26,27)/b24-15+.
What are the key properties of 2-[4-[(E)-[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]phenoxy]acetic acid?
2-[4-[(E)-[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]phenoxy]acetic acid has a molecular weight of 404.42 g/mol, XLogP of 2.54, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(E)-[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]phenoxy]acetic acid is sourced from PubChem (CID 5344603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).