1-methoxy-4-[4-[4-(4-methoxyphenoxy)but-1-enoxy]but-3-enoxy]benzene

C22H26O5 — CID 139637373

IUPAC1-methoxy-4-[4-[4-(4-methoxyphenoxy)but-1-enoxy]but-3-enoxy]benzene
SMILESCOc1ccc(OCCC=COC=CCCOc2ccc(OC)cc2)cc1
InChIInChI=1S/C22H26O5/c1-23-19-7-11-21(12-8-19)26-17-5-3-15-25-16-4-6-18-27-22-13-9-20(24-2)10-14-22/h3-4,7-16H,5-6,17-18H2,1-2H3
InChIKeyZQKRFCAYFROTPV-UHFFFAOYSA-N
MW370.45 g/mol
LogP4.99
Rot. Bonds12

About 1-methoxy-4-[4-[4-(4-methoxyphenoxy)but-1-enoxy]but-3-enoxy]benzene

1-methoxy-4-[4-[4-(4-methoxyphenoxy)but-1-enoxy]but-3-enoxy]benzene (PubChem CID 139637373) has the molecular formula C22H26O5 and a molecular weight of 370.45 g/mol. Its IUPAC name is 1-methoxy-4-[4-[4-(4-methoxyphenoxy)but-1-enoxy]but-3-enoxy]benzene.

Molecular Properties

Compound Name1-methoxy-4-[4-[4-(4-methoxyphenoxy)but-1-enoxy]but-3-enoxy]benzene
PubChem CID139637373
Molecular FormulaC22H26O5
Molecular Weight370.45 g/mol
Exact Mass370.18
IUPAC Name1-methoxy-4-[4-[4-(4-methoxyphenoxy)but-1-enoxy]but-3-enoxy]benzene
SMILESCOc1ccc(OCCC=COC=CCCOc2ccc(OC)cc2)cc1
InChIInChI=1S/C22H26O5/c1-23-19-7-11-21(12-8-19)26-17-5-3-15-25-16-4-6-18-27-22-13-9-20(24-2)10-14-22/h3-4,7-16H,5-6,17-18H2,1-2H3
InChIKeyZQKRFCAYFROTPV-UHFFFAOYSA-N
XLogP4.99
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-[4-[4-(4-methoxyphenoxy)but-1-enoxy]but-3-enoxy]benzene?
The IUPAC name of 1-methoxy-4-[4-[4-(4-methoxyphenoxy)but-1-enoxy]but-3-enoxy]benzene (CID 139637373) is 1-methoxy-4-[4-[4-(4-methoxyphenoxy)but-1-enoxy]but-3-enoxy]benzene.
What is the SMILES notation for 1-methoxy-4-[4-[4-(4-methoxyphenoxy)but-1-enoxy]but-3-enoxy]benzene?
The canonical SMILES for 1-methoxy-4-[4-[4-(4-methoxyphenoxy)but-1-enoxy]but-3-enoxy]benzene is COc1ccc(OCCC=COC=CCCOc2ccc(OC)cc2)cc1.
What is the InChIKey of 1-methoxy-4-[4-[4-(4-methoxyphenoxy)but-1-enoxy]but-3-enoxy]benzene?
The InChIKey is ZQKRFCAYFROTPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26O5/c1-23-19-7-11-21(12-8-19)26-17-5-3-15-25-16-4-6-18-27-22-13-9-20(24-2)10-14-22/h3-4,7-16H,5-6,17-18H2,1-2H3.
What are the key properties of 1-methoxy-4-[4-[4-(4-methoxyphenoxy)but-1-enoxy]but-3-enoxy]benzene?
1-methoxy-4-[4-[4-(4-methoxyphenoxy)but-1-enoxy]but-3-enoxy]benzene has a molecular weight of 370.45 g/mol, XLogP of 4.99, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-[4-[4-(4-methoxyphenoxy)but-1-enoxy]but-3-enoxy]benzene is sourced from PubChem (CID 139637373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).