2-(3-methoxy-2-phenylmethoxyphenyl)acetohydrazide

C16H18N2O3 — CID 3062848

IUPAC2-(3-methoxy-2-phenylmethoxyphenyl)acetohydrazide
SMILESCOc1cccc(CC(=O)NN)c1OCc1ccccc1
InChIInChI=1S/C16H18N2O3/c1-20-14-9-5-8-13(10-15(19)18-17)16(14)21-11-12-6-3-2-4-7-12/h2-9H,10-11,17H2,1H3,(H,18,19)
InChIKeyGJCOWHAMZHCTPK-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.81
Rot. Bonds6

About 2-(3-methoxy-2-phenylmethoxyphenyl)acetohydrazide

2-(3-methoxy-2-phenylmethoxyphenyl)acetohydrazide (PubChem CID 3062848) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-(3-methoxy-2-phenylmethoxyphenyl)acetohydrazide.

Molecular Properties

Compound Name2-(3-methoxy-2-phenylmethoxyphenyl)acetohydrazide
PubChem CID3062848
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name2-(3-methoxy-2-phenylmethoxyphenyl)acetohydrazide
SMILESCOc1cccc(CC(=O)NN)c1OCc1ccccc1
InChIInChI=1S/C16H18N2O3/c1-20-14-9-5-8-13(10-15(19)18-17)16(14)21-11-12-6-3-2-4-7-12/h2-9H,10-11,17H2,1H3,(H,18,19)
InChIKeyGJCOWHAMZHCTPK-UHFFFAOYSA-N
XLogP1.81
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.81
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 2-(3-methoxy-2-phenylmethoxyphenyl)acetohydrazide?
The IUPAC name of 2-(3-methoxy-2-phenylmethoxyphenyl)acetohydrazide (CID 3062848) is 2-(3-methoxy-2-phenylmethoxyphenyl)acetohydrazide.
What is the SMILES notation for 2-(3-methoxy-2-phenylmethoxyphenyl)acetohydrazide?
The canonical SMILES for 2-(3-methoxy-2-phenylmethoxyphenyl)acetohydrazide is COc1cccc(CC(=O)NN)c1OCc1ccccc1.
What is the InChIKey of 2-(3-methoxy-2-phenylmethoxyphenyl)acetohydrazide?
The InChIKey is GJCOWHAMZHCTPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-20-14-9-5-8-13(10-15(19)18-17)16(14)21-11-12-6-3-2-4-7-12/h2-9H,10-11,17H2,1H3,(H,18,19).
What are the key properties of 2-(3-methoxy-2-phenylmethoxyphenyl)acetohydrazide?
2-(3-methoxy-2-phenylmethoxyphenyl)acetohydrazide has a molecular weight of 286.33 g/mol, XLogP of 1.81, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-2-phenylmethoxyphenyl)acetohydrazide is sourced from PubChem (CID 3062848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).