1-phenoxy-4-[3-[4-(2-prop-2-enoxyethyl)phenoxy]phenoxy]benzene

C29H26O4 — CID 134504728

IUPAC1-phenoxy-4-[3-[4-(2-prop-2-enoxyethyl)phenoxy]phenoxy]benzene
SMILESC=CCOCCc1ccc(Oc2cccc(Oc3ccc(Oc4ccccc4)cc3)c2)cc1
InChIInChI=1S/C29H26O4/c1-2-20-30-21-19-23-11-13-25(14-12-23)32-28-9-6-10-29(22-28)33-27-17-15-26(16-18-27)31-24-7-4-3-5-8-24/h2-18,22H,1,19-21H2
InChIKeyDPZYOBBSLUBVIA-UHFFFAOYSA-N
MW438.52 g/mol
LogP7.81
Rot. Bonds11

About 1-phenoxy-4-[3-[4-(2-prop-2-enoxyethyl)phenoxy]phenoxy]benzene

1-phenoxy-4-[3-[4-(2-prop-2-enoxyethyl)phenoxy]phenoxy]benzene (PubChem CID 134504728) has the molecular formula C29H26O4 and a molecular weight of 438.52 g/mol. Its IUPAC name is 1-phenoxy-4-[3-[4-(2-prop-2-enoxyethyl)phenoxy]phenoxy]benzene.

Molecular Properties

Compound Name1-phenoxy-4-[3-[4-(2-prop-2-enoxyethyl)phenoxy]phenoxy]benzene
PubChem CID134504728
Molecular FormulaC29H26O4
Molecular Weight438.52 g/mol
Exact Mass438.18
IUPAC Name1-phenoxy-4-[3-[4-(2-prop-2-enoxyethyl)phenoxy]phenoxy]benzene
SMILESC=CCOCCc1ccc(Oc2cccc(Oc3ccc(Oc4ccccc4)cc3)c2)cc1
InChIInChI=1S/C29H26O4/c1-2-20-30-21-19-23-11-13-25(14-12-23)32-28-9-6-10-29(22-28)33-27-17-15-26(16-18-27)31-24-7-4-3-5-8-24/h2-18,22H,1,19-21H2
InChIKeyDPZYOBBSLUBVIA-UHFFFAOYSA-N
XLogP7.81
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.52
LogP ≤ 57.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-phenoxy-4-[3-[4-(2-prop-2-enoxyethyl)phenoxy]phenoxy]benzene?
The IUPAC name of 1-phenoxy-4-[3-[4-(2-prop-2-enoxyethyl)phenoxy]phenoxy]benzene (CID 134504728) is 1-phenoxy-4-[3-[4-(2-prop-2-enoxyethyl)phenoxy]phenoxy]benzene.
What is the SMILES notation for 1-phenoxy-4-[3-[4-(2-prop-2-enoxyethyl)phenoxy]phenoxy]benzene?
The canonical SMILES for 1-phenoxy-4-[3-[4-(2-prop-2-enoxyethyl)phenoxy]phenoxy]benzene is C=CCOCCc1ccc(Oc2cccc(Oc3ccc(Oc4ccccc4)cc3)c2)cc1.
What is the InChIKey of 1-phenoxy-4-[3-[4-(2-prop-2-enoxyethyl)phenoxy]phenoxy]benzene?
The InChIKey is DPZYOBBSLUBVIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26O4/c1-2-20-30-21-19-23-11-13-25(14-12-23)32-28-9-6-10-29(22-28)33-27-17-15-26(16-18-27)31-24-7-4-3-5-8-24/h2-18,22H,1,19-21H2.
What are the key properties of 1-phenoxy-4-[3-[4-(2-prop-2-enoxyethyl)phenoxy]phenoxy]benzene?
1-phenoxy-4-[3-[4-(2-prop-2-enoxyethyl)phenoxy]phenoxy]benzene has a molecular weight of 438.52 g/mol, XLogP of 7.81, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenoxy-4-[3-[4-(2-prop-2-enoxyethyl)phenoxy]phenoxy]benzene is sourced from PubChem (CID 134504728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).