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

C14H21N3O2 — CID 139929817

IUPAC4-methyl-2-(3-morpholin-4-ylpropanehydrazonoyl)phenol
SMILESCc1ccc(O)c(C(CCN2CCOCC2)=NN)c1
InChIInChI=1S/C14H21N3O2/c1-11-2-3-14(18)12(10-11)13(16-15)4-5-17-6-8-19-9-7-17/h2-3,10,18H,4-9,15H2,1H3
InChIKeyQYIOXXNOHDSBKP-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.09
Rot. Bonds4

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

4-methyl-2-(3-morpholin-4-ylpropanehydrazonoyl)phenol (PubChem CID 139929817) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-methyl-2-(3-morpholin-4-ylpropanehydrazonoyl)phenol.

Molecular Properties

Compound Name4-methyl-2-(3-morpholin-4-ylpropanehydrazonoyl)phenol
PubChem CID139929817
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name4-methyl-2-(3-morpholin-4-ylpropanehydrazonoyl)phenol
SMILESCc1ccc(O)c(C(CCN2CCOCC2)=NN)c1
InChIInChI=1S/C14H21N3O2/c1-11-2-3-14(18)12(10-11)13(16-15)4-5-17-6-8-19-9-7-17/h2-3,10,18H,4-9,15H2,1H3
InChIKeyQYIOXXNOHDSBKP-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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Related Compounds

4-chloro-2-(3-morpholin-4-ylpropanehydrazonoyl)phenol
CID 139929750
4-methyl-2-(1,4,7-trioxa-10-azacyclododec-10-ylmethyl)phenol
CID 11779275
1-(2,4-dimethylphenyl)-3-morpholin-4-ylpropan-1-one chloride
CID 45108470
1-[4-(2-hydroxy-5-methylbenzoyl)piperazin-1-yl]-2-morpholin-4-ylethanone
CID 46548530
2-[C-[6-[2-methoxyethyl(methyl)amino]-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]carbonohydrazonoyl]-4-methylphenol
CID 152755510
[(Z)-[1-(2-hydroxy-5-methylphenyl)-2-methyl-3-morpholin-4-ylpropylidene]amino] acetate
CID 177494744
1-[4-(2-hydroxy-5-methylbenzoyl)piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione
CID 55470896
1-(3-methylphenyl)-3-morpholin-4-ylpropan-1-one
CID 10198554
5-methyl-2-[1-(2-morpholin-4-ylethylamino)ethyl]phenol
CID 43201456
2-[(E)-N-hydroxy-C-[(11E)-11-hydroxyimino-11-(2-hydroxy-5-methylphenyl)undecyl]carbonimidoyl]-4-methylphenol
CID 135684564
5-(4-tert-butylphenyl)-4-[hydroxy-(2-hydroxy-5-methylphenyl)methylidene]-1-(2-morpholin-4-ylethyl)pyrrolidine-2,3-dione
CID 74253295
6-methyl-N-(3-morpholin-4-ylpropyl)naphthalene-2-carboxamide
CID 142825714

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(3-morpholin-4-ylpropanehydrazonoyl)phenol?
The IUPAC name of 4-methyl-2-(3-morpholin-4-ylpropanehydrazonoyl)phenol (CID 139929817) is 4-methyl-2-(3-morpholin-4-ylpropanehydrazonoyl)phenol.
What is the SMILES notation for 4-methyl-2-(3-morpholin-4-ylpropanehydrazonoyl)phenol?
The canonical SMILES for 4-methyl-2-(3-morpholin-4-ylpropanehydrazonoyl)phenol is Cc1ccc(O)c(C(CCN2CCOCC2)=NN)c1.
What is the InChIKey of 4-methyl-2-(3-morpholin-4-ylpropanehydrazonoyl)phenol?
The InChIKey is QYIOXXNOHDSBKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-11-2-3-14(18)12(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 4-methyl-2-(3-morpholin-4-ylpropanehydrazonoyl)phenol?
4-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 4-methyl-2-(3-morpholin-4-ylpropanehydrazonoyl)phenol is sourced from PubChem (CID 139929817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).