[(2Z,4Z)-2-ethenyliodanuidylhexa-2,4-dienoxy]benzene

C14H16IO- — CID 156796467

IUPAC[(2Z,4Z)-2-ethenyliodanuidylhexa-2,4-dienoxy]benzene
SMILESC=C[I-]/C(=C\C=C/C)COc1ccccc1
InChIInChI=1S/C14H16IO/c1-3-5-9-13(15-4-2)12-16-14-10-7-6-8-11-14/h3-11H,2,12H2,1H3/q-1/b5-3-,13-9-
InChIKeyXKOLEYQCRWZMTF-KSVDDNJFSA-N
MW327.19 g/mol
LogP0.76
Rot. Bonds6

About [(2Z,4Z)-2-ethenyliodanuidylhexa-2,4-dienoxy]benzene

[(2Z,4Z)-2-ethenyliodanuidylhexa-2,4-dienoxy]benzene (PubChem CID 156796467) has the molecular formula C14H16IO- and a molecular weight of 327.19 g/mol. Its IUPAC name is [(2Z,4Z)-2-ethenyliodanuidylhexa-2,4-dienoxy]benzene.

Molecular Properties

Compound Name[(2Z,4Z)-2-ethenyliodanuidylhexa-2,4-dienoxy]benzene
PubChem CID156796467
Molecular FormulaC14H16IO-
Molecular Weight327.19 g/mol
Exact Mass327.03
IUPAC Name[(2Z,4Z)-2-ethenyliodanuidylhexa-2,4-dienoxy]benzene
SMILESC=C[I-]/C(=C\C=C/C)COc1ccccc1
InChIInChI=1S/C14H16IO/c1-3-5-9-13(15-4-2)12-16-14-10-7-6-8-11-14/h3-11H,2,12H2,1H3/q-1/b5-3-,13-9-
InChIKeyXKOLEYQCRWZMTF-KSVDDNJFSA-N
XLogP0.76
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.19
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze [(2Z,4Z)-2-ethenyliodanuidylhexa-2,4-dienoxy]benzene 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

N-(but-2-enylideneamino)-2-phenoxyacetamide
CID 4285683
1-[(2E,4Z)-hexa-2,4-dien-2-yl]oxy-3-phenoxypropan-2-ol
CID 129159331
hexa-2,4-dienoxybenzene;titanium
CID 87665934
1-phenoxypent-4-en-2-one
CID 62716371
propan-2-yl 2-phenoxyacetate
CID 11367560
but-2-enoxybenzene
CID 564963
2-but-2-enylocta-2,7-dienoxybenzene
CID 54130728
1-phenoxybut-3-en-2-imine
CID 123902955
1-(2-hydroxy-3-methyl-4-phenoxybut-2-enoxy)-3-methyl-4-phenoxybut-2-en-2-ol
CID 141356926
benzyl [(2E,4Z)-2-ethenylhexa-2,4-dienyl] hydrogen phosphate
CID 167158784
CID 174846151
CID 174846151
chloromethane;2-phenoxyacetic acid
CID 157255542

Frequently Asked Questions

What is the IUPAC name of [(2Z,4Z)-2-ethenyliodanuidylhexa-2,4-dienoxy]benzene?
The IUPAC name of [(2Z,4Z)-2-ethenyliodanuidylhexa-2,4-dienoxy]benzene (CID 156796467) is [(2Z,4Z)-2-ethenyliodanuidylhexa-2,4-dienoxy]benzene.
What is the SMILES notation for [(2Z,4Z)-2-ethenyliodanuidylhexa-2,4-dienoxy]benzene?
The canonical SMILES for [(2Z,4Z)-2-ethenyliodanuidylhexa-2,4-dienoxy]benzene is C=C[I-]/C(=C\C=C/C)COc1ccccc1.
What is the InChIKey of [(2Z,4Z)-2-ethenyliodanuidylhexa-2,4-dienoxy]benzene?
The InChIKey is XKOLEYQCRWZMTF-KSVDDNJFSA-N. The full InChI is InChI=1S/C14H16IO/c1-3-5-9-13(15-4-2)12-16-14-10-7-6-8-11-14/h3-11H,2,12H2,1H3/q-1/b5-3-,13-9-.
What are the key properties of [(2Z,4Z)-2-ethenyliodanuidylhexa-2,4-dienoxy]benzene?
[(2Z,4Z)-2-ethenyliodanuidylhexa-2,4-dienoxy]benzene has a molecular weight of 327.19 g/mol, XLogP of 0.76, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2Z,4Z)-2-ethenyliodanuidylhexa-2,4-dienoxy]benzene is sourced from PubChem (CID 156796467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).