3-[(4-formylphenoxy)methyl]benzohydrazide

C15H14N2O3 — CID 63571221

IUPAC3-[(4-formylphenoxy)methyl]benzohydrazide
SMILESNNC(=O)c1cccc(COc2ccc(C=O)cc2)c1
InChIInChI=1S/C15H14N2O3/c16-17-15(19)13-3-1-2-12(8-13)10-20-14-6-4-11(9-18)5-7-14/h1-9H,10,16H2,(H,17,19)
InChIKeyBRYBMPCZYMVZSI-UHFFFAOYSA-N
MW270.29 g/mol
LogP1.68
Rot. Bonds5

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

3-[(4-formylphenoxy)methyl]benzohydrazide (PubChem CID 63571221) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is 3-[(4-formylphenoxy)methyl]benzohydrazide.

Molecular Properties

Compound Name3-[(4-formylphenoxy)methyl]benzohydrazide
PubChem CID63571221
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Name3-[(4-formylphenoxy)methyl]benzohydrazide
SMILESNNC(=O)c1cccc(COc2ccc(C=O)cc2)c1
InChIInChI=1S/C15H14N2O3/c16-17-15(19)13-3-1-2-12(8-13)10-20-14-6-4-11(9-18)5-7-14/h1-9H,10,16H2,(H,17,19)
InChIKeyBRYBMPCZYMVZSI-UHFFFAOYSA-N
XLogP1.68
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', '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-ethoxyphenoxy)methyl]benzohydrazide
CID 840785
4-[[3-[(4-formylphenoxy)methyl]phenyl]methoxy]benzaldehyde
CID 19038438
3-[(4-propan-2-ylphenoxy)methyl]benzohydrazide
CID 840752
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
4-[(3-pentan-3-yloxyphenyl)methoxy]benzaldehyde
CID 87614650
3-[(3,4-dichlorophenyl)methoxy]benzohydrazide
CID 91682824
3-[(2,3,6-trimethylphenoxy)methyl]benzohydrazide
CID 63576608
3-[(2-methylpropan-2-yl)oxymethyl]benzohydrazide
CID 63574676
3-(cyclobutyloxymethyl)benzohydrazide
CID 63570894

Frequently Asked Questions

What is the IUPAC name of 3-[(4-formylphenoxy)methyl]benzohydrazide?
The IUPAC name of 3-[(4-formylphenoxy)methyl]benzohydrazide (CID 63571221) is 3-[(4-formylphenoxy)methyl]benzohydrazide.
What is the SMILES notation for 3-[(4-formylphenoxy)methyl]benzohydrazide?
The canonical SMILES for 3-[(4-formylphenoxy)methyl]benzohydrazide is NNC(=O)c1cccc(COc2ccc(C=O)cc2)c1.
What is the InChIKey of 3-[(4-formylphenoxy)methyl]benzohydrazide?
The InChIKey is BRYBMPCZYMVZSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c16-17-15(19)13-3-1-2-12(8-13)10-20-14-6-4-11(9-18)5-7-14/h1-9H,10,16H2,(H,17,19).
What are the key properties of 3-[(4-formylphenoxy)methyl]benzohydrazide?
3-[(4-formylphenoxy)methyl]benzohydrazide has a molecular weight of 270.29 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-formylphenoxy)methyl]benzohydrazide is sourced from PubChem (CID 63571221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).