4-chloro-2-(3-morpholin-4-ylpropanehydrazonoyl)phenol

C13H18ClN3O2 — CID 139929750

IUPAC4-chloro-2-(3-morpholin-4-ylpropanehydrazonoyl)phenol
SMILESNN=C(CCN1CCOCC1)c1cc(Cl)ccc1O
InChIInChI=1S/C13H18ClN3O2/c14-10-1-2-13(18)11(9-10)12(16-15)3-4-17-5-7-19-8-6-17/h1-2,9,18H,3-8,15H2
InChIKeyVBTSKPBZQMQOIR-UHFFFAOYSA-N
MW283.76 g/mol
LogP1.43
Rot. Bonds4

About 4-chloro-2-(3-morpholin-4-ylpropanehydrazonoyl)phenol

4-chloro-2-(3-morpholin-4-ylpropanehydrazonoyl)phenol (PubChem CID 139929750) has the molecular formula C13H18ClN3O2 and a molecular weight of 283.76 g/mol. Its IUPAC name is 4-chloro-2-(3-morpholin-4-ylpropanehydrazonoyl)phenol.

Molecular Properties

Compound Name4-chloro-2-(3-morpholin-4-ylpropanehydrazonoyl)phenol
PubChem CID139929750
Molecular FormulaC13H18ClN3O2
Molecular Weight283.76 g/mol
Exact Mass283.11
IUPAC Name4-chloro-2-(3-morpholin-4-ylpropanehydrazonoyl)phenol
SMILESNN=C(CCN1CCOCC1)c1cc(Cl)ccc1O
InChIInChI=1S/C13H18ClN3O2/c14-10-1-2-13(18)11(9-10)12(16-15)3-4-17-5-7-19-8-6-17/h1-2,9,18H,3-8,15H2
InChIKeyVBTSKPBZQMQOIR-UHFFFAOYSA-N
XLogP1.43
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 51.43
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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Related Compounds

N-[(E)-1-(5-chloro-2-hydroxyphenyl)ethylideneamino]morpholine-4-carbothioamide
CID 145989545
4-Chloro-2-[(2-morpholin-4-ylethylimino)methyl]phenol
CID 135659270
4-Chloro-2-(3-morpholin-4-ylpropyliminomethyl)phenol
CID 135659271
2,4-dichloro-6-[(E)-C-ethyl-N-morpholin-4-ylcarbonimidoyl]phenol
CID 137248424
Phenol, 4-chloro-2-[(4-morpholinylimino)methyl]-
CID 135842388
5-Methyl-2-(3-morpholin-4-ylpropanehydrazonoyl)phenol
CID 139929771
2-(2-Morpholin-4-ylethanehydrazonoyl)phenol
CID 139929802
4-Methyl-2-(3-morpholin-4-ylpropanehydrazonoyl)phenol
CID 139929817
2-(2-Morpholin-4-ylethanehydrazonoyl)phenol
CID 139929830
4-Methyl-2-(3-morpholin-4-ylpropanehydrazonoyl)phenol
CID 139929846
4-Chloro-2-(morpholin-4-yliminomethyl)phenol
CID 3317737
4-Chloro-2-(1-morpholin-4-ylethyl)phenol
CID 82975095

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(3-morpholin-4-ylpropanehydrazonoyl)phenol?
The IUPAC name of 4-chloro-2-(3-morpholin-4-ylpropanehydrazonoyl)phenol (CID 139929750) is 4-chloro-2-(3-morpholin-4-ylpropanehydrazonoyl)phenol.
What is the SMILES notation for 4-chloro-2-(3-morpholin-4-ylpropanehydrazonoyl)phenol?
The canonical SMILES for 4-chloro-2-(3-morpholin-4-ylpropanehydrazonoyl)phenol is NN=C(CCN1CCOCC1)c1cc(Cl)ccc1O.
What is the InChIKey of 4-chloro-2-(3-morpholin-4-ylpropanehydrazonoyl)phenol?
The InChIKey is VBTSKPBZQMQOIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O2/c14-10-1-2-13(18)11(9-10)12(16-15)3-4-17-5-7-19-8-6-17/h1-2,9,18H,3-8,15H2.
What are the key properties of 4-chloro-2-(3-morpholin-4-ylpropanehydrazonoyl)phenol?
4-chloro-2-(3-morpholin-4-ylpropanehydrazonoyl)phenol has a molecular weight of 283.76 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(3-morpholin-4-ylpropanehydrazonoyl)phenol is sourced from PubChem (CID 139929750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).