1-ethenyl-4-[1-[3-[1-(4-ethenylphenyl)ethenoxy]propoxy]ethenyl]benzene

C23H24O2 — CID 89368146

IUPAC1-ethenyl-4-[1-[3-[1-(4-ethenylphenyl)ethenoxy]propoxy]ethenyl]benzene
SMILESC=Cc1ccc(C(=C)OCCCOC(=C)c2ccc(C=C)cc2)cc1
InChIInChI=1S/C23H24O2/c1-5-20-8-12-22(13-9-20)18(3)24-16-7-17-25-19(4)23-14-10-21(6-2)11-15-23/h5-6,8-15H,1-4,7,16-17H2
InChIKeyVXCLQYASOGQACL-UHFFFAOYSA-N
MW332.44 g/mol
LogP6.04
Rot. Bonds10

About 1-ethenyl-4-[1-[3-[1-(4-ethenylphenyl)ethenoxy]propoxy]ethenyl]benzene

1-ethenyl-4-[1-[3-[1-(4-ethenylphenyl)ethenoxy]propoxy]ethenyl]benzene (PubChem CID 89368146) has the molecular formula C23H24O2 and a molecular weight of 332.44 g/mol. Its IUPAC name is 1-ethenyl-4-[1-[3-[1-(4-ethenylphenyl)ethenoxy]propoxy]ethenyl]benzene.

Molecular Properties

Compound Name1-ethenyl-4-[1-[3-[1-(4-ethenylphenyl)ethenoxy]propoxy]ethenyl]benzene
PubChem CID89368146
Molecular FormulaC23H24O2
Molecular Weight332.44 g/mol
Exact Mass332.18
IUPAC Name1-ethenyl-4-[1-[3-[1-(4-ethenylphenyl)ethenoxy]propoxy]ethenyl]benzene
SMILESC=Cc1ccc(C(=C)OCCCOC(=C)c2ccc(C=C)cc2)cc1
InChIInChI=1S/C23H24O2/c1-5-20-8-12-22(13-9-20)18(3)24-16-7-17-25-19(4)23-14-10-21(6-2)11-15-23/h5-6,8-15H,1-4,7,16-17H2
InChIKeyVXCLQYASOGQACL-UHFFFAOYSA-N
XLogP6.04
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.44
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-bromopentyl 4-ethenylbenzoate
CID 54019940
hexyl 4-ethenylbenzoate
CID 12541506
4-(2-chloroethoxy)butyl 4-ethenylbenzoate
CID 57236268
1-(1-chloroethenyl)-4-ethenylbenzene
CID 58298786
2-methoxyethyl 4-ethenylbenzoate
CID 58960727
methyl 4-[1-[3-(3-methoxypropoxy)propoxy]ethenyl]benzoate
CID 118579626
[(4R)-4-(4-ethenylbenzoyl)oxypentyl] 4-ethenylbenzoate
CID 101015957
4-(1-ethoxyethenyl)benzaldehyde
CID 86025539
3-(4-ethenylphenyl)propyl carbonochloridate
CID 139984757
3-(4-ethenylphenyl)propyl prop-2-enoate
CID 163299713
2-prop-2-enoxyethyl 4-ethenylbenzoate
CID 58769638
ethyl 4-[4-(4-ethenylphenoxy)butoxy]benzoate
CID 102095927

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-4-[1-[3-[1-(4-ethenylphenyl)ethenoxy]propoxy]ethenyl]benzene?
The IUPAC name of 1-ethenyl-4-[1-[3-[1-(4-ethenylphenyl)ethenoxy]propoxy]ethenyl]benzene (CID 89368146) is 1-ethenyl-4-[1-[3-[1-(4-ethenylphenyl)ethenoxy]propoxy]ethenyl]benzene.
What is the SMILES notation for 1-ethenyl-4-[1-[3-[1-(4-ethenylphenyl)ethenoxy]propoxy]ethenyl]benzene?
The canonical SMILES for 1-ethenyl-4-[1-[3-[1-(4-ethenylphenyl)ethenoxy]propoxy]ethenyl]benzene is C=Cc1ccc(C(=C)OCCCOC(=C)c2ccc(C=C)cc2)cc1.
What is the InChIKey of 1-ethenyl-4-[1-[3-[1-(4-ethenylphenyl)ethenoxy]propoxy]ethenyl]benzene?
The InChIKey is VXCLQYASOGQACL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24O2/c1-5-20-8-12-22(13-9-20)18(3)24-16-7-17-25-19(4)23-14-10-21(6-2)11-15-23/h5-6,8-15H,1-4,7,16-17H2.
What are the key properties of 1-ethenyl-4-[1-[3-[1-(4-ethenylphenyl)ethenoxy]propoxy]ethenyl]benzene?
1-ethenyl-4-[1-[3-[1-(4-ethenylphenyl)ethenoxy]propoxy]ethenyl]benzene has a molecular weight of 332.44 g/mol, XLogP of 6.04, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-4-[1-[3-[1-(4-ethenylphenyl)ethenoxy]propoxy]ethenyl]benzene is sourced from PubChem (CID 89368146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).