4-[(1E,3S,6E,8E)-3-ethenyl-8-hydrazinylidene-3,7-dimethylocta-1,6-dienyl]phenol

C18H24N2O — CID 127032856

IUPAC4-[(1E,3S,6E,8E)-3-ethenyl-8-hydrazinylidene-3,7-dimethylocta-1,6-dienyl]phenol
SMILESC=C[C@@](C)(/C=C/c1ccc(O)cc1)CC/C=C(C)/C=N/N
InChIInChI=1S/C18H24N2O/c1-4-18(3,12-5-6-15(2)14-20-19)13-11-16-7-9-17(21)10-8-16/h4,6-11,13-14,21H,1,5,12,19H2,2-3H3/b13-11+,15-6+,20-14+/t18-/m1/s1
InChIKeyCSRAVGINLZDHCX-IWGXGGFUSA-N
MW284.40 g/mol
LogP4.27
Rot. Bonds7

About 4-[(1E,3S,6E,8E)-3-ethenyl-8-hydrazinylidene-3,7-dimethylocta-1,6-dienyl]phenol

4-[(1E,3S,6E,8E)-3-ethenyl-8-hydrazinylidene-3,7-dimethylocta-1,6-dienyl]phenol (PubChem CID 127032856) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 4-[(1E,3S,6E,8E)-3-ethenyl-8-hydrazinylidene-3,7-dimethylocta-1,6-dienyl]phenol.

Molecular Properties

Compound Name4-[(1E,3S,6E,8E)-3-ethenyl-8-hydrazinylidene-3,7-dimethylocta-1,6-dienyl]phenol
PubChem CID127032856
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name4-[(1E,3S,6E,8E)-3-ethenyl-8-hydrazinylidene-3,7-dimethylocta-1,6-dienyl]phenol
SMILESC=C[C@@](C)(/C=C/c1ccc(O)cc1)CC/C=C(C)/C=N/N
InChIInChI=1S/C18H24N2O/c1-4-18(3,12-5-6-15(2)14-20-19)13-11-16-7-9-17(21)10-8-16/h4,6-11,13-14,21H,1,5,12,19H2,2-3H3/b13-11+,15-6+,20-14+/t18-/m1/s1
InChIKeyCSRAVGINLZDHCX-IWGXGGFUSA-N
XLogP4.27
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[(1E,3S,6E,8E)-3-ethenyl-8-hydrazinylidene-3,7-dimethylocta-1,6-dienyl]phenol with MolForge

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

Launch Full Analysis

Related Compounds

4-Hydroxybenzaldehyde oxime
CID 135408704
(Z)-(4-hydroxyphenyl)acetaldehyde oxime
CID 5459810
4-hydroxybenzaldehyde [(1E)-(4-hydroxyphenyl)methylene]hydrazone
CID 135460511
Salicylaldehyde hydrazone
CID 135484217
4-Hydroxybenzaldehyde O-(3,3-dimethylbutanoyl)oxime
CID 135908260
Benzaldehyde, p-hydroxy-, dimethylhydrazone
CID 135509593
4-Hydroxyphenylacetaldoxime
CID 5460411
4-[(Propylimino)methyl]benzenol
CID 3609105
Benzaldehyde, 4-hydroxy-, oxime
CID 219130
Hydrazinecarboximidamide, N(or 2)-((2-hydroxyphenyl)methylene)-
CID 135460245
Phenol, p-(N-methylformimidoyl)-
CID 201277
Benzaldehyde, 2-hydroxy-, hydrazone
CID 102390

Frequently Asked Questions

What is the IUPAC name of 4-[(1E,3S,6E,8E)-3-ethenyl-8-hydrazinylidene-3,7-dimethylocta-1,6-dienyl]phenol?
The IUPAC name of 4-[(1E,3S,6E,8E)-3-ethenyl-8-hydrazinylidene-3,7-dimethylocta-1,6-dienyl]phenol (CID 127032856) is 4-[(1E,3S,6E,8E)-3-ethenyl-8-hydrazinylidene-3,7-dimethylocta-1,6-dienyl]phenol.
What is the SMILES notation for 4-[(1E,3S,6E,8E)-3-ethenyl-8-hydrazinylidene-3,7-dimethylocta-1,6-dienyl]phenol?
The canonical SMILES for 4-[(1E,3S,6E,8E)-3-ethenyl-8-hydrazinylidene-3,7-dimethylocta-1,6-dienyl]phenol is C=C[C@@](C)(/C=C/c1ccc(O)cc1)CC/C=C(C)/C=N/N.
What is the InChIKey of 4-[(1E,3S,6E,8E)-3-ethenyl-8-hydrazinylidene-3,7-dimethylocta-1,6-dienyl]phenol?
The InChIKey is CSRAVGINLZDHCX-IWGXGGFUSA-N. The full InChI is InChI=1S/C18H24N2O/c1-4-18(3,12-5-6-15(2)14-20-19)13-11-16-7-9-17(21)10-8-16/h4,6-11,13-14,21H,1,5,12,19H2,2-3H3/b13-11+,15-6+,20-14+/t18-/m1/s1.
What are the key properties of 4-[(1E,3S,6E,8E)-3-ethenyl-8-hydrazinylidene-3,7-dimethylocta-1,6-dienyl]phenol?
4-[(1E,3S,6E,8E)-3-ethenyl-8-hydrazinylidene-3,7-dimethylocta-1,6-dienyl]phenol has a molecular weight of 284.40 g/mol, XLogP of 4.27, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1E,3S,6E,8E)-3-ethenyl-8-hydrazinylidene-3,7-dimethylocta-1,6-dienyl]phenol is sourced from PubChem (CID 127032856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).