methyl 4-[2-[3-[(2-phenylhydrazinyl)methyl]phenoxy]ethoxy]benzoate

C23H24N2O4 — CID 169386933

IUPACmethyl 4-[2-[3-[(2-phenylhydrazinyl)methyl]phenoxy]ethoxy]benzoate
SMILESCOC(=O)c1ccc(OCCOc2cccc(CNNc3ccccc3)c2)cc1
InChIInChI=1S/C23H24N2O4/c1-27-23(26)19-10-12-21(13-11-19)28-14-15-29-22-9-5-6-18(16-22)17-24-25-20-7-3-2-4-8-20/h2-13,16,24-25H,14-15,17H2,1H3
InChIKeyUTEMGKROBFCFPQ-UHFFFAOYSA-N
MW392.46 g/mol
LogP4.05
Rot. Bonds10

About methyl 4-[2-[3-[(2-phenylhydrazinyl)methyl]phenoxy]ethoxy]benzoate

methyl 4-[2-[3-[(2-phenylhydrazinyl)methyl]phenoxy]ethoxy]benzoate (PubChem CID 169386933) has the molecular formula C23H24N2O4 and a molecular weight of 392.46 g/mol. Its IUPAC name is methyl 4-[2-[3-[(2-phenylhydrazinyl)methyl]phenoxy]ethoxy]benzoate.

Molecular Properties

Compound Namemethyl 4-[2-[3-[(2-phenylhydrazinyl)methyl]phenoxy]ethoxy]benzoate
PubChem CID169386933
Molecular FormulaC23H24N2O4
Molecular Weight392.46 g/mol
Exact Mass392.17
IUPAC Namemethyl 4-[2-[3-[(2-phenylhydrazinyl)methyl]phenoxy]ethoxy]benzoate
SMILESCOC(=O)c1ccc(OCCOc2cccc(CNNc3ccccc3)c2)cc1
InChIInChI=1S/C23H24N2O4/c1-27-23(26)19-10-12-21(13-11-19)28-14-15-29-22-9-5-6-18(16-22)17-24-25-20-7-3-2-4-8-20/h2-13,16,24-25H,14-15,17H2,1H3
InChIKeyUTEMGKROBFCFPQ-UHFFFAOYSA-N
XLogP4.05
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze methyl 4-[2-[3-[(2-phenylhydrazinyl)methyl]phenoxy]ethoxy]benzoate with MolForge

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

Launch Full Analysis

Related Compounds

methyl 4-[[4-[(2-phenylhydrazinyl)methyl]phenoxy]methyl]benzoate
CID 169385691
4-O-[2-(3-ethylphenoxy)ethyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 55308189
methyl 4-[2-[2-(benzylamino)ethoxy]ethoxy]benzoate;oxalic acid
CID 2935639
methyl 4-[2-(3-formylphenoxy)ethoxy]benzoate
CID 18526173
N-[3-(2-methoxyethoxy)phenyl]-4-(2-phenylethoxy)benzamide
CID 17169886
methyl 4-[[3-(methylaminomethyl)phenoxy]methyl]benzoate
CID 60883533
3-(2-phenoxyethoxy)-N-[[3-(2-phenoxyethoxy)phenyl]methyl]aniline
CID 54800842
[4-[(2-phenylhydrazinyl)methyl]phenyl] 4-methylbenzoate
CID 169386056
N-[[3-[2-(4-phenoxyphenoxy)ethoxy]phenyl]methyl]benzamide
CID 173183648
methyl 4-[10-(4-phenylmethoxycarbonylphenoxy)decoxy]benzoate
CID 149220381
4-(2-phenoxyethoxy)-N-(3-phenylmethoxyphenyl)benzamide
CID 17086099
methyl 4-[[2-[3-(3-phenylpropoxy)anilino]acetyl]amino]benzoate
CID 54828126

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-[3-[(2-phenylhydrazinyl)methyl]phenoxy]ethoxy]benzoate?
The IUPAC name of methyl 4-[2-[3-[(2-phenylhydrazinyl)methyl]phenoxy]ethoxy]benzoate (CID 169386933) is methyl 4-[2-[3-[(2-phenylhydrazinyl)methyl]phenoxy]ethoxy]benzoate.
What is the SMILES notation for methyl 4-[2-[3-[(2-phenylhydrazinyl)methyl]phenoxy]ethoxy]benzoate?
The canonical SMILES for methyl 4-[2-[3-[(2-phenylhydrazinyl)methyl]phenoxy]ethoxy]benzoate is COC(=O)c1ccc(OCCOc2cccc(CNNc3ccccc3)c2)cc1.
What is the InChIKey of methyl 4-[2-[3-[(2-phenylhydrazinyl)methyl]phenoxy]ethoxy]benzoate?
The InChIKey is UTEMGKROBFCFPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4/c1-27-23(26)19-10-12-21(13-11-19)28-14-15-29-22-9-5-6-18(16-22)17-24-25-20-7-3-2-4-8-20/h2-13,16,24-25H,14-15,17H2,1H3.
What are the key properties of methyl 4-[2-[3-[(2-phenylhydrazinyl)methyl]phenoxy]ethoxy]benzoate?
methyl 4-[2-[3-[(2-phenylhydrazinyl)methyl]phenoxy]ethoxy]benzoate has a molecular weight of 392.46 g/mol, XLogP of 4.05, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-[3-[(2-phenylhydrazinyl)methyl]phenoxy]ethoxy]benzoate is sourced from PubChem (CID 169386933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).