methyl 4-[[4-[(2-phenylhydrazinyl)methyl]phenoxy]methyl]benzoate

C22H22N2O3 — CID 169385691

IUPACmethyl 4-[[4-[(2-phenylhydrazinyl)methyl]phenoxy]methyl]benzoate
SMILESCOC(=O)c1ccc(COc2ccc(CNNc3ccccc3)cc2)cc1
InChIInChI=1S/C22H22N2O3/c1-26-22(25)19-11-7-18(8-12-19)16-27-21-13-9-17(10-14-21)15-23-24-20-5-3-2-4-6-20/h2-14,23-24H,15-16H2,1H3
InChIKeyJSWXTWQGVXMRCH-UHFFFAOYSA-N
MW362.43 g/mol
LogP4.17
Rot. Bonds8

About methyl 4-[[4-[(2-phenylhydrazinyl)methyl]phenoxy]methyl]benzoate

methyl 4-[[4-[(2-phenylhydrazinyl)methyl]phenoxy]methyl]benzoate (PubChem CID 169385691) has the molecular formula C22H22N2O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is methyl 4-[[4-[(2-phenylhydrazinyl)methyl]phenoxy]methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[4-[(2-phenylhydrazinyl)methyl]phenoxy]methyl]benzoate
PubChem CID169385691
Molecular FormulaC22H22N2O3
Molecular Weight362.43 g/mol
Exact Mass362.16
IUPAC Namemethyl 4-[[4-[(2-phenylhydrazinyl)methyl]phenoxy]methyl]benzoate
SMILESCOC(=O)c1ccc(COc2ccc(CNNc3ccccc3)cc2)cc1
InChIInChI=1S/C22H22N2O3/c1-26-22(25)19-11-7-18(8-12-19)16-27-21-13-9-17(10-14-21)15-23-24-20-5-3-2-4-6-20/h2-14,23-24H,15-16H2,1H3
InChIKeyJSWXTWQGVXMRCH-UHFFFAOYSA-N
XLogP4.17
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-[2-[3-[(2-phenylhydrazinyl)methyl]phenoxy]ethoxy]benzoate
CID 169386933
methyl 4-[[4-(methylaminomethyl)phenoxy]methyl]benzoate
CID 60880616
methyl 4-(4-phenylmethoxybenzoyl)benzoate
CID 11681743
methyl 4-[[(4-phenylmethoxybenzoyl)amino]carbamoyl]benzoate
CID 17178415
[4-[(2-phenylhydrazinyl)methyl]phenyl] 4-methylbenzoate
CID 169386056
methyl 4-[[4-(hydroxymethyl)phenoxy]methyl]benzoate
CID 23631878
methyl 4-[[2-(4-phenylmethoxyphenoxy)acetyl]amino]benzoate
CID 7950516
methyl 4-[[4-[3-(benzylamino)-2-(benzylcarbamoyl)-3-oxoprop-1-enyl]phenoxy]methyl]benzoate
CID 4025965
methyl 4-[(4-propanoylphenoxy)methyl]benzoate
CID 877977
methyl 4-[[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenoxy]methyl]benzoate
CID 7946008
methyl 4-[(4-phenylmethoxybenzoyl)carbamothioylamino]benzoate
CID 22777389
methyl 3-[2-(4-phenylmethoxyphenyl)ethyl]benzoate
CID 175245532

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[4-[(2-phenylhydrazinyl)methyl]phenoxy]methyl]benzoate?
The IUPAC name of methyl 4-[[4-[(2-phenylhydrazinyl)methyl]phenoxy]methyl]benzoate (CID 169385691) is methyl 4-[[4-[(2-phenylhydrazinyl)methyl]phenoxy]methyl]benzoate.
What is the SMILES notation for methyl 4-[[4-[(2-phenylhydrazinyl)methyl]phenoxy]methyl]benzoate?
The canonical SMILES for methyl 4-[[4-[(2-phenylhydrazinyl)methyl]phenoxy]methyl]benzoate is COC(=O)c1ccc(COc2ccc(CNNc3ccccc3)cc2)cc1.
What is the InChIKey of methyl 4-[[4-[(2-phenylhydrazinyl)methyl]phenoxy]methyl]benzoate?
The InChIKey is JSWXTWQGVXMRCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3/c1-26-22(25)19-11-7-18(8-12-19)16-27-21-13-9-17(10-14-21)15-23-24-20-5-3-2-4-6-20/h2-14,23-24H,15-16H2,1H3.
What are the key properties of methyl 4-[[4-[(2-phenylhydrazinyl)methyl]phenoxy]methyl]benzoate?
methyl 4-[[4-[(2-phenylhydrazinyl)methyl]phenoxy]methyl]benzoate has a molecular weight of 362.43 g/mol, XLogP of 4.17, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[4-[(2-phenylhydrazinyl)methyl]phenoxy]methyl]benzoate is sourced from PubChem (CID 169385691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).