1-ethenyl-4-[6-(4-ethenylphenoxy)hexoxy]benzene

C22H26O2 — CID 66919086

IUPAC1-ethenyl-4-[6-(4-ethenylphenoxy)hexoxy]benzene
SMILESC=Cc1ccc(OCCCCCCOc2ccc(C=C)cc2)cc1
InChIInChI=1S/C22H26O2/c1-3-19-9-13-21(14-10-19)23-17-7-5-6-8-18-24-22-15-11-20(4-2)12-16-22/h3-4,9-16H,1-2,5-8,17-18H2
InChIKeyIWBOORDKWFCAGB-UHFFFAOYSA-N
MW322.45 g/mol
LogP5.99
Rot. Bonds11

About 1-ethenyl-4-[6-(4-ethenylphenoxy)hexoxy]benzene

1-ethenyl-4-[6-(4-ethenylphenoxy)hexoxy]benzene (PubChem CID 66919086) has the molecular formula C22H26O2 and a molecular weight of 322.45 g/mol. Its IUPAC name is 1-ethenyl-4-[6-(4-ethenylphenoxy)hexoxy]benzene.

Molecular Properties

Compound Name1-ethenyl-4-[6-(4-ethenylphenoxy)hexoxy]benzene
PubChem CID66919086
Molecular FormulaC22H26O2
Molecular Weight322.45 g/mol
Exact Mass322.19
IUPAC Name1-ethenyl-4-[6-(4-ethenylphenoxy)hexoxy]benzene
SMILESC=Cc1ccc(OCCCCCCOc2ccc(C=C)cc2)cc1
InChIInChI=1S/C22H26O2/c1-3-19-9-13-21(14-10-19)23-17-7-5-6-8-18-24-22-15-11-20(4-2)12-16-22/h3-4,9-16H,1-2,5-8,17-18H2
InChIKeyIWBOORDKWFCAGB-UHFFFAOYSA-N
XLogP5.99
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.45
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-ethenyl-4-[6-(4-ethenylphenoxy)hexoxy]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

1-ethenyl-4-henicosoxybenzene
CID 174769675
1-ethenyl-4-[11-(4-methylphenoxy)undecoxy]benzene
CID 70667681
1-ethenyl-4-undecoxybenzene
CID 174770051
1-ethenyl-4-hex-5-enoxybenzene
CID 86167911
1-ethenyl-4-(4-iodobutoxy)benzene
CID 71412951
11-(4-ethenylphenoxy)undecyl-trimethylazanium
CID 169121754
4-[6-(4-ethenylphenoxy)hexoxy]benzenesulfonate
CID 140670040
N,N-ditert-butyl-6-(4-ethenylphenoxy)hexan-1-amine
CID 68645784
[4-[5-(4-ethenylphenoxy)pentoxy]phenyl]-(4-methoxyphenyl)diazene
CID 71342009
4-(4-ethenylphenoxy)butyl-dimethoxysilane
CID 123452170
1-(4-decoxyphenyl)-N-(4-ethenylphenyl)methanimine
CID 59991212
1-ethenyl-4-hept-4-enoxybenzene
CID 175065592

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-4-[6-(4-ethenylphenoxy)hexoxy]benzene?
The IUPAC name of 1-ethenyl-4-[6-(4-ethenylphenoxy)hexoxy]benzene (CID 66919086) is 1-ethenyl-4-[6-(4-ethenylphenoxy)hexoxy]benzene.
What is the SMILES notation for 1-ethenyl-4-[6-(4-ethenylphenoxy)hexoxy]benzene?
The canonical SMILES for 1-ethenyl-4-[6-(4-ethenylphenoxy)hexoxy]benzene is C=Cc1ccc(OCCCCCCOc2ccc(C=C)cc2)cc1.
What is the InChIKey of 1-ethenyl-4-[6-(4-ethenylphenoxy)hexoxy]benzene?
The InChIKey is IWBOORDKWFCAGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26O2/c1-3-19-9-13-21(14-10-19)23-17-7-5-6-8-18-24-22-15-11-20(4-2)12-16-22/h3-4,9-16H,1-2,5-8,17-18H2.
What are the key properties of 1-ethenyl-4-[6-(4-ethenylphenoxy)hexoxy]benzene?
1-ethenyl-4-[6-(4-ethenylphenoxy)hexoxy]benzene has a molecular weight of 322.45 g/mol, XLogP of 5.99, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-4-[6-(4-ethenylphenoxy)hexoxy]benzene is sourced from PubChem (CID 66919086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).