1-(4-bromo-2-methoxyphenyl)oct-7-enylhydrazine

C15H23BrN2O — CID 107012919

IUPAC1-(4-bromo-2-methoxyphenyl)oct-7-enylhydrazine
SMILESC=CCCCCCC(NN)c1ccc(Br)cc1OC
InChIInChI=1S/C15H23BrN2O/c1-3-4-5-6-7-8-14(18-17)13-10-9-12(16)11-15(13)19-2/h3,9-11,14,18H,1,4-8,17H2,2H3
InChIKeyYNIOFDWFVATHAA-UHFFFAOYSA-N
MW327.27 g/mol
LogP4.10
Rot. Bonds9

About 1-(4-bromo-2-methoxyphenyl)oct-7-enylhydrazine

1-(4-bromo-2-methoxyphenyl)oct-7-enylhydrazine (PubChem CID 107012919) has the molecular formula C15H23BrN2O and a molecular weight of 327.27 g/mol. Its IUPAC name is 1-(4-bromo-2-methoxyphenyl)oct-7-enylhydrazine.

Molecular Properties

Compound Name1-(4-bromo-2-methoxyphenyl)oct-7-enylhydrazine
PubChem CID107012919
Molecular FormulaC15H23BrN2O
Molecular Weight327.27 g/mol
Exact Mass326.10
IUPAC Name1-(4-bromo-2-methoxyphenyl)oct-7-enylhydrazine
SMILESC=CCCCCCC(NN)c1ccc(Br)cc1OC
InChIInChI=1S/C15H23BrN2O/c1-3-4-5-6-7-8-14(18-17)13-10-9-12(16)11-15(13)19-2/h3,9-11,14,18H,1,4-8,17H2,2H3
InChIKeyYNIOFDWFVATHAA-UHFFFAOYSA-N
XLogP4.10
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.27
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-bromo-2-methoxyphenyl)hex-5-enylhydrazine
CID 105311425
1-(2,4-dimethoxyphenyl)oct-7-enylhydrazine
CID 107012801
1-(4-bromo-2-methoxyphenyl)octylhydrazine
CID 105293670
1-(4-bromo-2-methoxyphenyl)hexylhydrazine
CID 105294755
1-(2,4-dimethoxyphenyl)hex-5-enylhydrazine
CID 105311306
[1-(4-bromo-2-methoxyphenyl)-4-methoxybutyl]hydrazine
CID 105342619
[1-(4-bromo-2-methoxyphenyl)-4-methylpentyl]hydrazine
CID 105294311
1-(2,4-dibromophenyl)hex-5-enylhydrazine
CID 107948272
[1-(4-bromo-2-methoxyphenyl)-4-methylpent-4-enyl]hydrazine
CID 105336009
1-(3,4-dimethoxyphenyl)oct-7-enylhydrazine
CID 107012370
(1R)-1-(4-bromo-2-methoxyphenyl)pent-4-en-1-amine
CID 171204809
1-(2-bromo-4-chlorophenyl)oct-7-enylhydrazine
CID 107997433

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-methoxyphenyl)oct-7-enylhydrazine?
The IUPAC name of 1-(4-bromo-2-methoxyphenyl)oct-7-enylhydrazine (CID 107012919) is 1-(4-bromo-2-methoxyphenyl)oct-7-enylhydrazine.
What is the SMILES notation for 1-(4-bromo-2-methoxyphenyl)oct-7-enylhydrazine?
The canonical SMILES for 1-(4-bromo-2-methoxyphenyl)oct-7-enylhydrazine is C=CCCCCCC(NN)c1ccc(Br)cc1OC.
What is the InChIKey of 1-(4-bromo-2-methoxyphenyl)oct-7-enylhydrazine?
The InChIKey is YNIOFDWFVATHAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O/c1-3-4-5-6-7-8-14(18-17)13-10-9-12(16)11-15(13)19-2/h3,9-11,14,18H,1,4-8,17H2,2H3.
What are the key properties of 1-(4-bromo-2-methoxyphenyl)oct-7-enylhydrazine?
1-(4-bromo-2-methoxyphenyl)oct-7-enylhydrazine has a molecular weight of 327.27 g/mol, XLogP of 4.10, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-methoxyphenyl)oct-7-enylhydrazine is sourced from PubChem (CID 107012919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).