methanol;1-[4-[(2E)-2-[(E)-1-phenylethylidenehydrazinylidene]propyl]phenyl]ethanone

C20H24N2O2 — CID 142452212

IUPACmethanol;1-[4-[(2E)-2-[(E)-1-phenylethylidenehydrazinylidene]propyl]phenyl]ethanone
SMILESCC(=O)c1ccc(C/C(C)=N/N=C(\C)c2ccccc2)cc1.CO
InChIInChI=1S/C19H20N2O.CH4O/c1-14(13-17-9-11-19(12-10-17)16(3)22)20-21-15(2)18-7-5-4-6-8-18;1-2/h4-12H,13H2,1-3H3;2H,1H3/b20-14+,21-15+;
InChIKeyRXHLHUDQFCXEMW-JICTWDTMSA-N
MW324.42 g/mol
LogP3.93
Rot. Bonds5

About methanol;1-[4-[(2E)-2-[(E)-1-phenylethylidenehydrazinylidene]propyl]phenyl]ethanone

methanol;1-[4-[(2E)-2-[(E)-1-phenylethylidenehydrazinylidene]propyl]phenyl]ethanone (PubChem CID 142452212) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is methanol;1-[4-[(2E)-2-[(E)-1-phenylethylidenehydrazinylidene]propyl]phenyl]ethanone.

Molecular Properties

Compound Namemethanol;1-[4-[(2E)-2-[(E)-1-phenylethylidenehydrazinylidene]propyl]phenyl]ethanone
PubChem CID142452212
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Namemethanol;1-[4-[(2E)-2-[(E)-1-phenylethylidenehydrazinylidene]propyl]phenyl]ethanone
SMILESCC(=O)c1ccc(C/C(C)=N/N=C(\C)c2ccccc2)cc1.CO
InChIInChI=1S/C19H20N2O.CH4O/c1-14(13-17-9-11-19(12-10-17)16(3)22)20-21-15(2)18-7-5-4-6-8-18;1-2/h4-12H,13H2,1-3H3;2H,1H3/b20-14+,21-15+;
InChIKeyRXHLHUDQFCXEMW-JICTWDTMSA-N
XLogP3.93
TPSA62.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze methanol;1-[4-[(2E)-2-[(E)-1-phenylethylidenehydrazinylidene]propyl]phenyl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methanol;1-[4-[(2E)-2-[(E)-1-phenylethylidenehydrazinylidene]propyl]phenyl]ethanone?
The IUPAC name of methanol;1-[4-[(2E)-2-[(E)-1-phenylethylidenehydrazinylidene]propyl]phenyl]ethanone (CID 142452212) is methanol;1-[4-[(2E)-2-[(E)-1-phenylethylidenehydrazinylidene]propyl]phenyl]ethanone.
What is the SMILES notation for methanol;1-[4-[(2E)-2-[(E)-1-phenylethylidenehydrazinylidene]propyl]phenyl]ethanone?
The canonical SMILES for methanol;1-[4-[(2E)-2-[(E)-1-phenylethylidenehydrazinylidene]propyl]phenyl]ethanone is CC(=O)c1ccc(C/C(C)=N/N=C(\C)c2ccccc2)cc1.CO.
What is the InChIKey of methanol;1-[4-[(2E)-2-[(E)-1-phenylethylidenehydrazinylidene]propyl]phenyl]ethanone?
The InChIKey is RXHLHUDQFCXEMW-JICTWDTMSA-N. The full InChI is InChI=1S/C19H20N2O.CH4O/c1-14(13-17-9-11-19(12-10-17)16(3)22)20-21-15(2)18-7-5-4-6-8-18;1-2/h4-12H,13H2,1-3H3;2H,1H3/b20-14+,21-15+;.
What are the key properties of methanol;1-[4-[(2E)-2-[(E)-1-phenylethylidenehydrazinylidene]propyl]phenyl]ethanone?
methanol;1-[4-[(2E)-2-[(E)-1-phenylethylidenehydrazinylidene]propyl]phenyl]ethanone has a molecular weight of 324.42 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;1-[4-[(2E)-2-[(E)-1-phenylethylidenehydrazinylidene]propyl]phenyl]ethanone is sourced from PubChem (CID 142452212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).