1-ethenoxy-4-[2-[1-(4-ethenylphenoxy)ethoxy]ethoxy]benzene

C20H22O4 — CID 139881216

IUPAC1-ethenoxy-4-[2-[1-(4-ethenylphenoxy)ethoxy]ethoxy]benzene
SMILESC=COc1ccc(OCCOC(C)Oc2ccc(C=C)cc2)cc1
InChIInChI=1S/C20H22O4/c1-4-17-6-8-20(9-7-17)24-16(3)22-14-15-23-19-12-10-18(11-13-19)21-5-2/h4-13,16H,1-2,14-15H2,3H3
InChIKeyHHPOXUWWIBLLPV-UHFFFAOYSA-N
MW326.39 g/mol
LogP4.67
Rot. Bonds10

About 1-ethenoxy-4-[2-[1-(4-ethenylphenoxy)ethoxy]ethoxy]benzene

1-ethenoxy-4-[2-[1-(4-ethenylphenoxy)ethoxy]ethoxy]benzene (PubChem CID 139881216) has the molecular formula C20H22O4 and a molecular weight of 326.39 g/mol. Its IUPAC name is 1-ethenoxy-4-[2-[1-(4-ethenylphenoxy)ethoxy]ethoxy]benzene.

Molecular Properties

Compound Name1-ethenoxy-4-[2-[1-(4-ethenylphenoxy)ethoxy]ethoxy]benzene
PubChem CID139881216
Molecular FormulaC20H22O4
Molecular Weight326.39 g/mol
Exact Mass326.15
IUPAC Name1-ethenoxy-4-[2-[1-(4-ethenylphenoxy)ethoxy]ethoxy]benzene
SMILESC=COc1ccc(OCCOC(C)Oc2ccc(C=C)cc2)cc1
InChIInChI=1S/C20H22O4/c1-4-17-6-8-20(9-7-17)24-16(3)22-14-15-23-19-12-10-18(11-13-19)21-5-2/h4-13,16H,1-2,14-15H2,3H3
InChIKeyHHPOXUWWIBLLPV-UHFFFAOYSA-N
XLogP4.67
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethenoxy-4-[2-[1-(4-ethenylphenoxy)ethoxy]ethoxy]benzene?
The IUPAC name of 1-ethenoxy-4-[2-[1-(4-ethenylphenoxy)ethoxy]ethoxy]benzene (CID 139881216) is 1-ethenoxy-4-[2-[1-(4-ethenylphenoxy)ethoxy]ethoxy]benzene.
What is the SMILES notation for 1-ethenoxy-4-[2-[1-(4-ethenylphenoxy)ethoxy]ethoxy]benzene?
The canonical SMILES for 1-ethenoxy-4-[2-[1-(4-ethenylphenoxy)ethoxy]ethoxy]benzene is C=COc1ccc(OCCOC(C)Oc2ccc(C=C)cc2)cc1.
What is the InChIKey of 1-ethenoxy-4-[2-[1-(4-ethenylphenoxy)ethoxy]ethoxy]benzene?
The InChIKey is HHPOXUWWIBLLPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O4/c1-4-17-6-8-20(9-7-17)24-16(3)22-14-15-23-19-12-10-18(11-13-19)21-5-2/h4-13,16H,1-2,14-15H2,3H3.
What are the key properties of 1-ethenoxy-4-[2-[1-(4-ethenylphenoxy)ethoxy]ethoxy]benzene?
1-ethenoxy-4-[2-[1-(4-ethenylphenoxy)ethoxy]ethoxy]benzene has a molecular weight of 326.39 g/mol, XLogP of 4.67, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenoxy-4-[2-[1-(4-ethenylphenoxy)ethoxy]ethoxy]benzene is sourced from PubChem (CID 139881216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).