[diphenyl(4-prop-2-enoxybutoxy)methyl]benzene

C26H28O2 — CID 11462923

IUPAC[diphenyl(4-prop-2-enoxybutoxy)methyl]benzene
SMILESC=CCOCCCCOC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H28O2/c1-2-20-27-21-12-13-22-28-26(23-14-6-3-7-15-23,24-16-8-4-9-17-24)25-18-10-5-11-19-25/h2-11,14-19H,1,12-13,20-22H2
InChIKeyPKWYBHBPOOHWPF-UHFFFAOYSA-N
MW372.51 g/mol
LogP5.98
Rot. Bonds11

About [diphenyl(4-prop-2-enoxybutoxy)methyl]benzene

[diphenyl(4-prop-2-enoxybutoxy)methyl]benzene (PubChem CID 11462923) has the molecular formula C26H28O2 and a molecular weight of 372.51 g/mol. Its IUPAC name is [diphenyl(4-prop-2-enoxybutoxy)methyl]benzene.

Molecular Properties

Compound Name[diphenyl(4-prop-2-enoxybutoxy)methyl]benzene
PubChem CID11462923
Molecular FormulaC26H28O2
Molecular Weight372.51 g/mol
Exact Mass372.21
IUPAC Name[diphenyl(4-prop-2-enoxybutoxy)methyl]benzene
SMILESC=CCOCCCCOC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H28O2/c1-2-20-27-21-12-13-22-28-26(23-14-6-3-7-15-23,24-16-8-4-9-17-24)25-18-10-5-11-19-25/h2-11,14-19H,1,12-13,20-22H2
InChIKeyPKWYBHBPOOHWPF-UHFFFAOYSA-N
XLogP5.98
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.51
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [diphenyl(4-prop-2-enoxybutoxy)methyl]benzene?
The IUPAC name of [diphenyl(4-prop-2-enoxybutoxy)methyl]benzene (CID 11462923) is [diphenyl(4-prop-2-enoxybutoxy)methyl]benzene.
What is the SMILES notation for [diphenyl(4-prop-2-enoxybutoxy)methyl]benzene?
The canonical SMILES for [diphenyl(4-prop-2-enoxybutoxy)methyl]benzene is C=CCOCCCCOC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [diphenyl(4-prop-2-enoxybutoxy)methyl]benzene?
The InChIKey is PKWYBHBPOOHWPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28O2/c1-2-20-27-21-12-13-22-28-26(23-14-6-3-7-15-23,24-16-8-4-9-17-24)25-18-10-5-11-19-25/h2-11,14-19H,1,12-13,20-22H2.
What are the key properties of [diphenyl(4-prop-2-enoxybutoxy)methyl]benzene?
[diphenyl(4-prop-2-enoxybutoxy)methyl]benzene has a molecular weight of 372.51 g/mol, XLogP of 5.98, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [diphenyl(4-prop-2-enoxybutoxy)methyl]benzene is sourced from PubChem (CID 11462923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).