3-[(4-ethoxyphenoxy)methyl]benzohydrazide

C16H18N2O3 — CID 840785

IUPAC3-[(4-ethoxyphenoxy)methyl]benzohydrazide
SMILESCCOc1ccc(OCc2cccc(C(=O)NN)c2)cc1
InChIInChI=1S/C16H18N2O3/c1-2-20-14-6-8-15(9-7-14)21-11-12-4-3-5-13(10-12)16(19)18-17/h3-10H,2,11,17H2,1H3,(H,18,19)
InChIKeyWONSEVKBGPCPNN-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.27
Rot. Bonds6

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

3-[(4-ethoxyphenoxy)methyl]benzohydrazide (PubChem CID 840785) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 3-[(4-ethoxyphenoxy)methyl]benzohydrazide.

Molecular Properties

Compound Name3-[(4-ethoxyphenoxy)methyl]benzohydrazide
PubChem CID840785
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name3-[(4-ethoxyphenoxy)methyl]benzohydrazide
SMILESCCOc1ccc(OCc2cccc(C(=O)NN)c2)cc1
InChIInChI=1S/C16H18N2O3/c1-2-20-14-6-8-15(9-7-14)21-11-12-4-3-5-13(10-12)16(19)18-17/h3-10H,2,11,17H2,1H3,(H,18,19)
InChIKeyWONSEVKBGPCPNN-UHFFFAOYSA-N
XLogP2.27
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 ≤ 52.27
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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Related Compounds

3-[(4-propan-2-ylphenoxy)methyl]benzohydrazide
CID 840752
3-[(4-formylphenoxy)methyl]benzohydrazide
CID 63571221
3-[(3,4-dichlorophenoxy)methyl]benzohydrazide
CID 63575567
3-[[3-(hydroxymethyl)phenoxy]methyl]benzohydrazide
CID 63569868
3-[(3-fluorophenoxy)methyl]benzohydrazide
CID 63576868
3-[(5-chloro-3-pyridinyl)oxymethyl]benzohydrazide
CID 64601823
3-[(2,3,6-trimethylphenoxy)methyl]benzohydrazide
CID 63576608
N'-[4-[(4-ethoxyphenoxy)methyl]benzoyl]-3-methoxybenzohydrazide
CID 7941736
3-[(2-methylpropan-2-yl)oxymethyl]benzohydrazide
CID 63574676
3-[(4-ethoxyphenoxy)methyl]-N-[(1-ethylpyrazol-3-yl)methyl]benzamide
CID 19331075
N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-[(4-ethoxyphenoxy)methyl]benzamide
CID 19288449
3-[(4-ethylphenoxy)methyl]benzoic acid
CID 891200

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethoxyphenoxy)methyl]benzohydrazide?
The IUPAC name of 3-[(4-ethoxyphenoxy)methyl]benzohydrazide (CID 840785) is 3-[(4-ethoxyphenoxy)methyl]benzohydrazide.
What is the SMILES notation for 3-[(4-ethoxyphenoxy)methyl]benzohydrazide?
The canonical SMILES for 3-[(4-ethoxyphenoxy)methyl]benzohydrazide is CCOc1ccc(OCc2cccc(C(=O)NN)c2)cc1.
What is the InChIKey of 3-[(4-ethoxyphenoxy)methyl]benzohydrazide?
The InChIKey is WONSEVKBGPCPNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-2-20-14-6-8-15(9-7-14)21-11-12-4-3-5-13(10-12)16(19)18-17/h3-10H,2,11,17H2,1H3,(H,18,19).
What are the key properties of 3-[(4-ethoxyphenoxy)methyl]benzohydrazide?
3-[(4-ethoxyphenoxy)methyl]benzohydrazide has a molecular weight of 286.33 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethoxyphenoxy)methyl]benzohydrazide is sourced from PubChem (CID 840785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).