4-(4-methoxyphenyl)-3-(phenylhydrazinylidene)pentan-2-one

C18H20N2O2 — CID 91962586

IUPAC4-(4-methoxyphenyl)-3-(phenylhydrazinylidene)pentan-2-one
SMILESCOc1ccc(C(C)C(=NNc2ccccc2)C(C)=O)cc1
InChIInChI=1S/C18H20N2O2/c1-13(15-9-11-17(22-3)12-10-15)18(14(2)21)20-19-16-7-5-4-6-8-16/h4-13,19H,1-3H3
InChIKeyJJRQKAQFZWJJGL-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.86
Rot. Bonds6

About 4-(4-methoxyphenyl)-3-(phenylhydrazinylidene)pentan-2-one

4-(4-methoxyphenyl)-3-(phenylhydrazinylidene)pentan-2-one (PubChem CID 91962586) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-3-(phenylhydrazinylidene)pentan-2-one.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-3-(phenylhydrazinylidene)pentan-2-one
PubChem CID91962586
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name4-(4-methoxyphenyl)-3-(phenylhydrazinylidene)pentan-2-one
SMILESCOc1ccc(C(C)C(=NNc2ccccc2)C(C)=O)cc1
InChIInChI=1S/C18H20N2O2/c1-13(15-9-11-17(22-3)12-10-15)18(14(2)21)20-19-16-7-5-4-6-8-16/h4-13,19H,1-3H3
InChIKeyJJRQKAQFZWJJGL-UHFFFAOYSA-N
XLogP3.86
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', '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

(2E)-3-imino-4-(4-methoxyphenyl)-N-phenyl-2-(phenylhydrazinylidene)pentanamide
CID 142189341
3-[(4-methoxyphenyl)hydrazinylidene]-N-phenylbutanamide
CID 141011644
N-benzyl-2-(4-methoxyphenyl)propanamide
CID 102432443
N'-(4-methoxyanilino)-2-oxopropanimidamide
CID 6340122
N-[(E)-1-(4-methoxyphenyl)propan-2-ylideneamino]aniline
CID 6005812
1-[(1R)-1-(4-methoxyphenyl)ethyl]-3-phenylurea
CID 28958845
(2E,3E)-2-hydroxyimino-3-[(4-methoxyphenyl)hydrazinylidene]-N-phenylbutanamide
CID 136662570
[(2R)-1-(4-methoxyanilino)-1-oxopropan-2-yl]-[(1R)-1-phenylethyl]azanium
CID 9248614
[(2S)-1-(4-methoxyanilino)-1-oxopropan-2-yl]-[(1R)-1-phenylethyl]azanium
CID 9248610
(2S)-N-[(1R)-2-hydroxy-1-(4-methoxyphenyl)ethyl]-2-phenylpropanamide
CID 118730013
(3Z)-4-(4-hydroxyphenyl)-2-imino-N-phenyl-3-(phenylhydrazinylidene)pentanamide
CID 142189425
N-[(4-methoxyphenyl)-phenylmethyl]-2-methylpropanamide
CID 46419913

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-3-(phenylhydrazinylidene)pentan-2-one?
The IUPAC name of 4-(4-methoxyphenyl)-3-(phenylhydrazinylidene)pentan-2-one (CID 91962586) is 4-(4-methoxyphenyl)-3-(phenylhydrazinylidene)pentan-2-one.
What is the SMILES notation for 4-(4-methoxyphenyl)-3-(phenylhydrazinylidene)pentan-2-one?
The canonical SMILES for 4-(4-methoxyphenyl)-3-(phenylhydrazinylidene)pentan-2-one is COc1ccc(C(C)C(=NNc2ccccc2)C(C)=O)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-3-(phenylhydrazinylidene)pentan-2-one?
The InChIKey is JJRQKAQFZWJJGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-13(15-9-11-17(22-3)12-10-15)18(14(2)21)20-19-16-7-5-4-6-8-16/h4-13,19H,1-3H3.
What are the key properties of 4-(4-methoxyphenyl)-3-(phenylhydrazinylidene)pentan-2-one?
4-(4-methoxyphenyl)-3-(phenylhydrazinylidene)pentan-2-one has a molecular weight of 296.37 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-3-(phenylhydrazinylidene)pentan-2-one is sourced from PubChem (CID 91962586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).