3-[2-(4-methylphenoxy)ethoxy]benzohydrazide

C16H18N2O3 — CID 63575513

IUPAC3-[2-(4-methylphenoxy)ethoxy]benzohydrazide
SMILESCc1ccc(OCCOc2cccc(C(=O)NN)c2)cc1
InChIInChI=1S/C16H18N2O3/c1-12-5-7-14(8-6-12)20-9-10-21-15-4-2-3-13(11-15)16(19)18-17/h2-8,11H,9-10,17H2,1H3,(H,18,19)
InChIKeyCWPBOSQNSWVOAS-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.06
Rot. Bonds6

About 3-[2-(4-methylphenoxy)ethoxy]benzohydrazide

3-[2-(4-methylphenoxy)ethoxy]benzohydrazide (PubChem CID 63575513) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 3-[2-(4-methylphenoxy)ethoxy]benzohydrazide.

Molecular Properties

Compound Name3-[2-(4-methylphenoxy)ethoxy]benzohydrazide
PubChem CID63575513
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name3-[2-(4-methylphenoxy)ethoxy]benzohydrazide
SMILESCc1ccc(OCCOc2cccc(C(=O)NN)c2)cc1
InChIInChI=1S/C16H18N2O3/c1-12-5-7-14(8-6-12)20-9-10-21-15-4-2-3-13(11-15)16(19)18-17/h2-8,11H,9-10,17H2,1H3,(H,18,19)
InChIKeyCWPBOSQNSWVOAS-UHFFFAOYSA-N
XLogP2.06
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 ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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-pentoxybenzohydrazide
CID 54793157
3-hexoxybenzohydrazide
CID 54793158
3-heptoxybenzohydrazide
CID 54793165
3-[3-(4-methylphenoxy)propoxy]benzoic acid
CID 63072752
3-methoxy-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 7761263
3-[2-[4-[(4-methylphenyl)carbamoyl]phenoxy]ethoxy]benzoic acid
CID 22680537
N-(2,5-dimethylphenyl)-3-(2-phenoxyethoxy)benzamide
CID 4954927
3-(2-hydrazinyl-2-oxoethoxy)benzohydrazide
CID 6420585
N'-benzoyl-3-(2-phenoxyethoxy)benzohydrazide
CID 4955128
3-[2-[bis(2-hydroxyethyl)amino]ethoxy]benzohydrazide
CID 63573041
3-[2-(oxetan-3-yloxy)ethoxy]benzohydrazide
CID 102608462
3-[2-(3-methylbutan-2-ylsulfanyl)ethoxy]benzohydrazide
CID 107760958

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-methylphenoxy)ethoxy]benzohydrazide?
The IUPAC name of 3-[2-(4-methylphenoxy)ethoxy]benzohydrazide (CID 63575513) is 3-[2-(4-methylphenoxy)ethoxy]benzohydrazide.
What is the SMILES notation for 3-[2-(4-methylphenoxy)ethoxy]benzohydrazide?
The canonical SMILES for 3-[2-(4-methylphenoxy)ethoxy]benzohydrazide is Cc1ccc(OCCOc2cccc(C(=O)NN)c2)cc1.
What is the InChIKey of 3-[2-(4-methylphenoxy)ethoxy]benzohydrazide?
The InChIKey is CWPBOSQNSWVOAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-12-5-7-14(8-6-12)20-9-10-21-15-4-2-3-13(11-15)16(19)18-17/h2-8,11H,9-10,17H2,1H3,(H,18,19).
What are the key properties of 3-[2-(4-methylphenoxy)ethoxy]benzohydrazide?
3-[2-(4-methylphenoxy)ethoxy]benzohydrazide has a molecular weight of 286.33 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-methylphenoxy)ethoxy]benzohydrazide is sourced from PubChem (CID 63575513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).