2-[2-[(Z)-[[4-(phenoxymethyl)benzoyl]hydrazinylidene]methyl]phenoxy]acetate

C23H19N2O5- — CID 8518215

IUPAC2-[2-[(Z)-[[4-(phenoxymethyl)benzoyl]hydrazinylidene]methyl]phenoxy]acetate
SMILESO=C([O-])COc1ccccc1/C=N\NC(=O)c1ccc(COc2ccccc2)cc1
InChIInChI=1S/C23H20N2O5/c26-22(27)16-30-21-9-5-4-6-19(21)14-24-25-23(28)18-12-10-17(11-13-18)15-29-20-7-2-1-3-8-20/h1-14H,15-16H2,(H,25,28)(H,26,27)/p-1/b24-14-
InChIKeyGPWHIXSCYIZQTM-OYKKKHCWSA-M
MW403.41 g/mol
LogP2.16
Rot. Bonds9

About 2-[2-[(Z)-[[4-(phenoxymethyl)benzoyl]hydrazinylidene]methyl]phenoxy]acetate

2-[2-[(Z)-[[4-(phenoxymethyl)benzoyl]hydrazinylidene]methyl]phenoxy]acetate (PubChem CID 8518215) has the molecular formula C23H19N2O5- and a molecular weight of 403.41 g/mol. Its IUPAC name is 2-[2-[(Z)-[[4-(phenoxymethyl)benzoyl]hydrazinylidene]methyl]phenoxy]acetate.

Molecular Properties

Compound Name2-[2-[(Z)-[[4-(phenoxymethyl)benzoyl]hydrazinylidene]methyl]phenoxy]acetate
PubChem CID8518215
Molecular FormulaC23H19N2O5-
Molecular Weight403.41 g/mol
Exact Mass403.13
IUPAC Name2-[2-[(Z)-[[4-(phenoxymethyl)benzoyl]hydrazinylidene]methyl]phenoxy]acetate
SMILESO=C([O-])COc1ccccc1/C=N\NC(=O)c1ccc(COc2ccccc2)cc1
InChIInChI=1S/C23H20N2O5/c26-22(27)16-30-21-9-5-4-6-19(21)14-24-25-23(28)18-12-10-17(11-13-18)15-29-20-7-2-1-3-8-20/h1-14H,15-16H2,(H,25,28)(H,26,27)/p-1/b24-14-
InChIKeyGPWHIXSCYIZQTM-OYKKKHCWSA-M
XLogP2.16
TPSA100.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.41
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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Related Compounds

2-[2-[[(4-hydroxybenzoyl)hydrazinylidene]methyl]phenoxy]acetate
CID 2306178
2-[2-[(Z)-[(4-propan-2-yloxybenzoyl)hydrazinylidene]methyl]phenoxy]acetate
CID 9215630
methyl 4-[[2-[(Z)-[[4-[(4-tert-butylphenoxy)methyl]benzoyl]hydrazinylidene]methyl]phenoxy]methyl]benzoate
CID 6057527
methyl 4-[[2-[(E)-[[4-[(4-chlorophenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenoxy]methyl]benzoate
CID 51060766
4-[[2-[(E)-(pyridine-4-carbonylhydrazinylidene)methyl]phenoxy]methyl]benzoic acid
CID 6875276
4-[(4-chlorophenyl)methoxy]-N-[(Z)-[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 6051853
2-[2-[[(4-hydroxybenzoyl)hydrazinylidene]methyl]phenoxy]acetic acid
CID 684020
4-[(4-chlorophenyl)methoxy]-N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]benzamide
CID 6321753
N-[(Z)-(2-butoxyphenyl)methylideneamino]-4-[(4-chlorophenyl)methoxy]benzamide
CID 6163914
4-bromo-N-[(Z)-[2-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 126346827
4-chloro-N-[(E)-[2-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 21379718
4-[[2-[(Z)-(pyridine-3-carbonylhydrazinylidene)methyl]phenoxy]methyl]benzoic acid
CID 7343454

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(Z)-[[4-(phenoxymethyl)benzoyl]hydrazinylidene]methyl]phenoxy]acetate?
The IUPAC name of 2-[2-[(Z)-[[4-(phenoxymethyl)benzoyl]hydrazinylidene]methyl]phenoxy]acetate (CID 8518215) is 2-[2-[(Z)-[[4-(phenoxymethyl)benzoyl]hydrazinylidene]methyl]phenoxy]acetate.
What is the SMILES notation for 2-[2-[(Z)-[[4-(phenoxymethyl)benzoyl]hydrazinylidene]methyl]phenoxy]acetate?
The canonical SMILES for 2-[2-[(Z)-[[4-(phenoxymethyl)benzoyl]hydrazinylidene]methyl]phenoxy]acetate is O=C([O-])COc1ccccc1/C=N\NC(=O)c1ccc(COc2ccccc2)cc1.
What is the InChIKey of 2-[2-[(Z)-[[4-(phenoxymethyl)benzoyl]hydrazinylidene]methyl]phenoxy]acetate?
The InChIKey is GPWHIXSCYIZQTM-OYKKKHCWSA-M. The full InChI is InChI=1S/C23H20N2O5/c26-22(27)16-30-21-9-5-4-6-19(21)14-24-25-23(28)18-12-10-17(11-13-18)15-29-20-7-2-1-3-8-20/h1-14H,15-16H2,(H,25,28)(H,26,27)/p-1/b24-14-.
What are the key properties of 2-[2-[(Z)-[[4-(phenoxymethyl)benzoyl]hydrazinylidene]methyl]phenoxy]acetate?
2-[2-[(Z)-[[4-(phenoxymethyl)benzoyl]hydrazinylidene]methyl]phenoxy]acetate has a molecular weight of 403.41 g/mol, XLogP of 2.16, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(Z)-[[4-(phenoxymethyl)benzoyl]hydrazinylidene]methyl]phenoxy]acetate is sourced from PubChem (CID 8518215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).