3-[[3-(hydroxymethyl)phenoxy]methyl]benzohydrazide

C15H16N2O3 — CID 63569868

IUPAC3-[[3-(hydroxymethyl)phenoxy]methyl]benzohydrazide
SMILESNNC(=O)c1cccc(COc2cccc(CO)c2)c1
InChIInChI=1S/C15H16N2O3/c16-17-15(19)13-5-1-4-12(7-13)10-20-14-6-2-3-11(8-14)9-18/h1-8,18H,9-10,16H2,(H,17,19)
InChIKeyBOLRYRBYIVCHHL-UHFFFAOYSA-N
MW272.30 g/mol
LogP1.36
Rot. Bonds5

About 3-[[3-(hydroxymethyl)phenoxy]methyl]benzohydrazide

3-[[3-(hydroxymethyl)phenoxy]methyl]benzohydrazide (PubChem CID 63569868) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 3-[[3-(hydroxymethyl)phenoxy]methyl]benzohydrazide.

Molecular Properties

Compound Name3-[[3-(hydroxymethyl)phenoxy]methyl]benzohydrazide
PubChem CID63569868
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name3-[[3-(hydroxymethyl)phenoxy]methyl]benzohydrazide
SMILESNNC(=O)c1cccc(COc2cccc(CO)c2)c1
InChIInChI=1S/C15H16N2O3/c16-17-15(19)13-5-1-4-12(7-13)10-20-14-6-2-3-11(8-14)9-18/h1-8,18H,9-10,16H2,(H,17,19)
InChIKeyBOLRYRBYIVCHHL-UHFFFAOYSA-N
XLogP1.36
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 51.36
H-Bond Donors ≤ 53
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-[(3-fluorophenoxy)methyl]benzohydrazide
CID 63576868
3-[(3,4-dichlorophenoxy)methyl]benzohydrazide
CID 63575567
3-[(4-ethoxyphenoxy)methyl]benzohydrazide
CID 840785
3-[(4-formylphenoxy)methyl]benzohydrazide
CID 63571221
N-(furan-2-ylmethyl)-3-[[3-(hydroxymethyl)phenoxy]methyl]benzamide
CID 111770257
3-[(3,4-dichlorophenyl)methoxy]benzohydrazide
CID 91682824
3-[(4-propan-2-ylphenoxy)methyl]benzohydrazide
CID 840752
3-[(5-chloro-3-pyridinyl)oxymethyl]benzohydrazide
CID 64601823
3-(hydroxymethyl)-N-methoxybenzamide
CID 130675925
[3-[(3-chlorophenyl)methoxy]phenyl]methanol
CID 28562037
3-[(2,3,6-trimethylphenoxy)methyl]benzohydrazide
CID 63576608
3-[(2-methylpropan-2-yl)oxymethyl]benzohydrazide
CID 63574676

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(hydroxymethyl)phenoxy]methyl]benzohydrazide?
The IUPAC name of 3-[[3-(hydroxymethyl)phenoxy]methyl]benzohydrazide (CID 63569868) is 3-[[3-(hydroxymethyl)phenoxy]methyl]benzohydrazide.
What is the SMILES notation for 3-[[3-(hydroxymethyl)phenoxy]methyl]benzohydrazide?
The canonical SMILES for 3-[[3-(hydroxymethyl)phenoxy]methyl]benzohydrazide is NNC(=O)c1cccc(COc2cccc(CO)c2)c1.
What is the InChIKey of 3-[[3-(hydroxymethyl)phenoxy]methyl]benzohydrazide?
The InChIKey is BOLRYRBYIVCHHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c16-17-15(19)13-5-1-4-12(7-13)10-20-14-6-2-3-11(8-14)9-18/h1-8,18H,9-10,16H2,(H,17,19).
What are the key properties of 3-[[3-(hydroxymethyl)phenoxy]methyl]benzohydrazide?
3-[[3-(hydroxymethyl)phenoxy]methyl]benzohydrazide has a molecular weight of 272.30 g/mol, XLogP of 1.36, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(hydroxymethyl)phenoxy]methyl]benzohydrazide is sourced from PubChem (CID 63569868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).