5-methyl-2-(3-morpholin-4-ylpropanehydrazonoyl)phenol

C14H21N3O2 — CID 139929771

IUPAC5-methyl-2-(3-morpholin-4-ylpropanehydrazonoyl)phenol
SMILESCc1ccc(C(CCN2CCOCC2)=NN)c(O)c1
InChIInChI=1S/C14H21N3O2/c1-11-2-3-12(14(18)10-11)13(16-15)4-5-17-6-8-19-9-7-17/h2-3,10,18H,4-9,15H2,1H3
InChIKeyVOCGHLWBLXQKJA-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.09
Rot. Bonds4

About 5-methyl-2-(3-morpholin-4-ylpropanehydrazonoyl)phenol

5-methyl-2-(3-morpholin-4-ylpropanehydrazonoyl)phenol (PubChem CID 139929771) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 5-methyl-2-(3-morpholin-4-ylpropanehydrazonoyl)phenol.

Molecular Properties

Compound Name5-methyl-2-(3-morpholin-4-ylpropanehydrazonoyl)phenol
PubChem CID139929771
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name5-methyl-2-(3-morpholin-4-ylpropanehydrazonoyl)phenol
SMILESCc1ccc(C(CCN2CCOCC2)=NN)c(O)c1
InChIInChI=1S/C14H21N3O2/c1-11-2-3-12(14(18)10-11)13(16-15)4-5-17-6-8-19-9-7-17/h2-3,10,18H,4-9,15H2,1H3
InChIKeyVOCGHLWBLXQKJA-UHFFFAOYSA-N
XLogP1.09
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', '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 5-methyl-2-(3-morpholin-4-ylpropanehydrazonoyl)phenol?
The IUPAC name of 5-methyl-2-(3-morpholin-4-ylpropanehydrazonoyl)phenol (CID 139929771) is 5-methyl-2-(3-morpholin-4-ylpropanehydrazonoyl)phenol.
What is the SMILES notation for 5-methyl-2-(3-morpholin-4-ylpropanehydrazonoyl)phenol?
The canonical SMILES for 5-methyl-2-(3-morpholin-4-ylpropanehydrazonoyl)phenol is Cc1ccc(C(CCN2CCOCC2)=NN)c(O)c1.
What is the InChIKey of 5-methyl-2-(3-morpholin-4-ylpropanehydrazonoyl)phenol?
The InChIKey is VOCGHLWBLXQKJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-11-2-3-12(14(18)10-11)13(16-15)4-5-17-6-8-19-9-7-17/h2-3,10,18H,4-9,15H2,1H3.
What are the key properties of 5-methyl-2-(3-morpholin-4-ylpropanehydrazonoyl)phenol?
5-methyl-2-(3-morpholin-4-ylpropanehydrazonoyl)phenol has a molecular weight of 263.34 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(3-morpholin-4-ylpropanehydrazonoyl)phenol is sourced from PubChem (CID 139929771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).