2-[2-[4-phenoxy-2-[(E)-prop-1-enyl]phenoxy]ethoxy]oxane

C22H26O4 — CID 11013660

IUPAC2-[2-[4-phenoxy-2-[(E)-prop-1-enyl]phenoxy]ethoxy]oxane
SMILESC/C=C/c1cc(Oc2ccccc2)ccc1OCCOC1CCCCO1
InChIInChI=1S/C22H26O4/c1-2-8-18-17-20(26-19-9-4-3-5-10-19)12-13-21(18)23-15-16-25-22-11-6-7-14-24-22/h2-5,8-10,12-13,17,22H,6-7,11,14-16H2,1H3/b8-2+
InChIKeyWZEBBUGGVPIWFE-KRXBUXKQSA-N
MW354.45 g/mol
LogP5.43
Rot. Bonds8

About 2-[2-[4-phenoxy-2-[(E)-prop-1-enyl]phenoxy]ethoxy]oxane

2-[2-[4-phenoxy-2-[(E)-prop-1-enyl]phenoxy]ethoxy]oxane (PubChem CID 11013660) has the molecular formula C22H26O4 and a molecular weight of 354.45 g/mol. Its IUPAC name is 2-[2-[4-phenoxy-2-[(E)-prop-1-enyl]phenoxy]ethoxy]oxane.

Molecular Properties

Compound Name2-[2-[4-phenoxy-2-[(E)-prop-1-enyl]phenoxy]ethoxy]oxane
PubChem CID11013660
Molecular FormulaC22H26O4
Molecular Weight354.45 g/mol
Exact Mass354.18
IUPAC Name2-[2-[4-phenoxy-2-[(E)-prop-1-enyl]phenoxy]ethoxy]oxane
SMILESC/C=C/c1cc(Oc2ccccc2)ccc1OCCOC1CCCCO1
InChIInChI=1S/C22H26O4/c1-2-8-18-17-20(26-19-9-4-3-5-10-19)12-13-21(18)23-15-16-25-22-11-6-7-14-24-22/h2-5,8-10,12-13,17,22H,6-7,11,14-16H2,1H3/b8-2+
InChIKeyWZEBBUGGVPIWFE-KRXBUXKQSA-N
XLogP5.43
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.45
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-phenoxy-2-[(E)-prop-1-enyl]phenoxy]ethoxy]oxane?
The IUPAC name of 2-[2-[4-phenoxy-2-[(E)-prop-1-enyl]phenoxy]ethoxy]oxane (CID 11013660) is 2-[2-[4-phenoxy-2-[(E)-prop-1-enyl]phenoxy]ethoxy]oxane.
What is the SMILES notation for 2-[2-[4-phenoxy-2-[(E)-prop-1-enyl]phenoxy]ethoxy]oxane?
The canonical SMILES for 2-[2-[4-phenoxy-2-[(E)-prop-1-enyl]phenoxy]ethoxy]oxane is C/C=C/c1cc(Oc2ccccc2)ccc1OCCOC1CCCCO1.
What is the InChIKey of 2-[2-[4-phenoxy-2-[(E)-prop-1-enyl]phenoxy]ethoxy]oxane?
The InChIKey is WZEBBUGGVPIWFE-KRXBUXKQSA-N. The full InChI is InChI=1S/C22H26O4/c1-2-8-18-17-20(26-19-9-4-3-5-10-19)12-13-21(18)23-15-16-25-22-11-6-7-14-24-22/h2-5,8-10,12-13,17,22H,6-7,11,14-16H2,1H3/b8-2+.
What are the key properties of 2-[2-[4-phenoxy-2-[(E)-prop-1-enyl]phenoxy]ethoxy]oxane?
2-[2-[4-phenoxy-2-[(E)-prop-1-enyl]phenoxy]ethoxy]oxane has a molecular weight of 354.45 g/mol, XLogP of 5.43, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-phenoxy-2-[(E)-prop-1-enyl]phenoxy]ethoxy]oxane is sourced from PubChem (CID 11013660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).