3-[(4-methoxyphenoxy)methyl]benzohydrazide

C15H16N2O3 — CID 843208

IUPAC3-[(4-methoxyphenoxy)methyl]benzohydrazide
SMILESCOc1ccc(OCc2cccc(C(=O)NN)c2)cc1
InChIInChI=1S/C15H16N2O3/c1-19-13-5-7-14(8-6-13)20-10-11-3-2-4-12(9-11)15(18)17-16/h2-9H,10,16H2,1H3,(H,17,18)
InChIKeyIOCQDXFWPGUPLN-UHFFFAOYSA-N
MW272.30 g/mol
LogP1.88
Rot. Bonds5

About 3-[(4-methoxyphenoxy)methyl]benzohydrazide

3-[(4-methoxyphenoxy)methyl]benzohydrazide (PubChem CID 843208) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 3-[(4-methoxyphenoxy)methyl]benzohydrazide.

Molecular Properties

Compound Name3-[(4-methoxyphenoxy)methyl]benzohydrazide
PubChem CID843208
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name3-[(4-methoxyphenoxy)methyl]benzohydrazide
SMILESCOc1ccc(OCc2cccc(C(=O)NN)c2)cc1
InChIInChI=1S/C15H16N2O3/c1-19-13-5-7-14(8-6-13)20-10-11-3-2-4-12(9-11)15(18)17-16/h2-9H,10,16H2,1H3,(H,17,18)
InChIKeyIOCQDXFWPGUPLN-UHFFFAOYSA-N
XLogP1.88
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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 3-[(4-methoxyphenoxy)methyl]benzohydrazide?
The IUPAC name of 3-[(4-methoxyphenoxy)methyl]benzohydrazide (CID 843208) is 3-[(4-methoxyphenoxy)methyl]benzohydrazide.
What is the SMILES notation for 3-[(4-methoxyphenoxy)methyl]benzohydrazide?
The canonical SMILES for 3-[(4-methoxyphenoxy)methyl]benzohydrazide is COc1ccc(OCc2cccc(C(=O)NN)c2)cc1.
What is the InChIKey of 3-[(4-methoxyphenoxy)methyl]benzohydrazide?
The InChIKey is IOCQDXFWPGUPLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-19-13-5-7-14(8-6-13)20-10-11-3-2-4-12(9-11)15(18)17-16/h2-9H,10,16H2,1H3,(H,17,18).
What are the key properties of 3-[(4-methoxyphenoxy)methyl]benzohydrazide?
3-[(4-methoxyphenoxy)methyl]benzohydrazide has a molecular weight of 272.30 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxyphenoxy)methyl]benzohydrazide is sourced from PubChem (CID 843208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).