1-[1-(4-methoxyphenyl)but-3-enyl]-2-phenylhydrazine

C17H20N2O — CID 11471172

IUPAC1-[1-(4-methoxyphenyl)but-3-enyl]-2-phenylhydrazine
SMILESC=CCC(NNc1ccccc1)c1ccc(OC)cc1
InChIInChI=1S/C17H20N2O/c1-3-7-17(14-10-12-16(20-2)13-11-14)19-18-15-8-5-4-6-9-15/h3-6,8-13,17-19H,1,7H2,2H3
InChIKeyAHJYHSPEWROUPP-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.93
Rot. Bonds7

About 1-[1-(4-methoxyphenyl)but-3-enyl]-2-phenylhydrazine

1-[1-(4-methoxyphenyl)but-3-enyl]-2-phenylhydrazine (PubChem CID 11471172) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-[1-(4-methoxyphenyl)but-3-enyl]-2-phenylhydrazine.

Molecular Properties

Compound Name1-[1-(4-methoxyphenyl)but-3-enyl]-2-phenylhydrazine
PubChem CID11471172
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name1-[1-(4-methoxyphenyl)but-3-enyl]-2-phenylhydrazine
SMILESC=CCC(NNc1ccccc1)c1ccc(OC)cc1
InChIInChI=1S/C17H20N2O/c1-3-7-17(14-10-12-16(20-2)13-11-14)19-18-15-8-5-4-6-9-15/h3-6,8-13,17-19H,1,7H2,2H3
InChIKeyAHJYHSPEWROUPP-UHFFFAOYSA-N
XLogP3.93
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-methoxy-4-[1-(4-methoxyphenyl)but-3-enyl]benzene
CID 10912530
4-bromo-N-[1-(4-methoxyphenyl)but-3-enyl]aniline
CID 139240301
4-fluoro-N-[1-(4-methoxyphenyl)but-3-enyl]aniline
CID 11471240
benzyl N-[1-(4-methoxyphenyl)but-3-enyl]carbamate
CID 11392783
(1R)-N-[(4-methoxyphenyl)methyl]-1-naphthalen-2-ylbut-3-en-1-amine
CID 135000197
(2S)-1-methoxy-N-[(1R)-1-(4-methoxyphenyl)but-3-enyl]-3-methylbutan-2-amine
CID 101042667
N-[(1S)-1-(4-methoxyphenyl)but-3-enyl]-2-methylpropane-2-sulfinamide
CID 101416899
1-bromo-4-[1-(4-methoxyphenyl)but-3-enyl]benzene
CID 11255568
(2R)-2-(4-methoxyphenyl)pent-4-enoic acid
CID 124577541
N-(4-methoxyphenyl)-N'-phenyl-1-(4-phenylphenyl)ethane-1,2-diamine
CID 150101041
N-[1-(4-methoxyphenyl)pentyl]aniline
CID 102396772
1-methoxy-4-[(1R)-1-phenylprop-2-enyl]benzene
CID 102287060

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-methoxyphenyl)but-3-enyl]-2-phenylhydrazine?
The IUPAC name of 1-[1-(4-methoxyphenyl)but-3-enyl]-2-phenylhydrazine (CID 11471172) is 1-[1-(4-methoxyphenyl)but-3-enyl]-2-phenylhydrazine.
What is the SMILES notation for 1-[1-(4-methoxyphenyl)but-3-enyl]-2-phenylhydrazine?
The canonical SMILES for 1-[1-(4-methoxyphenyl)but-3-enyl]-2-phenylhydrazine is C=CCC(NNc1ccccc1)c1ccc(OC)cc1.
What is the InChIKey of 1-[1-(4-methoxyphenyl)but-3-enyl]-2-phenylhydrazine?
The InChIKey is AHJYHSPEWROUPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-3-7-17(14-10-12-16(20-2)13-11-14)19-18-15-8-5-4-6-9-15/h3-6,8-13,17-19H,1,7H2,2H3.
What are the key properties of 1-[1-(4-methoxyphenyl)but-3-enyl]-2-phenylhydrazine?
1-[1-(4-methoxyphenyl)but-3-enyl]-2-phenylhydrazine has a molecular weight of 268.36 g/mol, XLogP of 3.93, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-methoxyphenyl)but-3-enyl]-2-phenylhydrazine is sourced from PubChem (CID 11471172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).