1-[(2E,4Z)-hexa-2,4-dien-3-yl]oxy-4-phenoxybenzene

C18H18O2 — CID 167082780

IUPAC1-[(2E,4Z)-hexa-2,4-dien-3-yl]oxy-4-phenoxybenzene
SMILESC/C=C\C(=C/C)Oc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C18H18O2/c1-3-8-15(4-2)19-17-11-13-18(14-12-17)20-16-9-6-5-7-10-16/h3-14H,1-2H3/b8-3-,15-4+
InChIKeyMWEOAERYDRIUFZ-KZNFHOQGSA-N
MW266.34 g/mol
LogP5.34
Rot. Bonds5

About 1-[(2E,4Z)-hexa-2,4-dien-3-yl]oxy-4-phenoxybenzene

1-[(2E,4Z)-hexa-2,4-dien-3-yl]oxy-4-phenoxybenzene (PubChem CID 167082780) has the molecular formula C18H18O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-[(2E,4Z)-hexa-2,4-dien-3-yl]oxy-4-phenoxybenzene.

Molecular Properties

Compound Name1-[(2E,4Z)-hexa-2,4-dien-3-yl]oxy-4-phenoxybenzene
PubChem CID167082780
Molecular FormulaC18H18O2
Molecular Weight266.34 g/mol
Exact Mass266.13
IUPAC Name1-[(2E,4Z)-hexa-2,4-dien-3-yl]oxy-4-phenoxybenzene
SMILESC/C=C\C(=C/C)Oc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C18H18O2/c1-3-8-15(4-2)19-17-11-13-18(14-12-17)20-16-9-6-5-7-10-16/h3-14H,1-2H3/b8-3-,15-4+
InChIKeyMWEOAERYDRIUFZ-KZNFHOQGSA-N
XLogP5.34
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.34
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(2E,4Z)-hexa-2,4-dien-3-yl]oxy-4-phenoxybenzene?
The IUPAC name of 1-[(2E,4Z)-hexa-2,4-dien-3-yl]oxy-4-phenoxybenzene (CID 167082780) is 1-[(2E,4Z)-hexa-2,4-dien-3-yl]oxy-4-phenoxybenzene.
What is the SMILES notation for 1-[(2E,4Z)-hexa-2,4-dien-3-yl]oxy-4-phenoxybenzene?
The canonical SMILES for 1-[(2E,4Z)-hexa-2,4-dien-3-yl]oxy-4-phenoxybenzene is C/C=C\C(=C/C)Oc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 1-[(2E,4Z)-hexa-2,4-dien-3-yl]oxy-4-phenoxybenzene?
The InChIKey is MWEOAERYDRIUFZ-KZNFHOQGSA-N. The full InChI is InChI=1S/C18H18O2/c1-3-8-15(4-2)19-17-11-13-18(14-12-17)20-16-9-6-5-7-10-16/h3-14H,1-2H3/b8-3-,15-4+.
What are the key properties of 1-[(2E,4Z)-hexa-2,4-dien-3-yl]oxy-4-phenoxybenzene?
1-[(2E,4Z)-hexa-2,4-dien-3-yl]oxy-4-phenoxybenzene has a molecular weight of 266.34 g/mol, XLogP of 5.34, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2E,4Z)-hexa-2,4-dien-3-yl]oxy-4-phenoxybenzene is sourced from PubChem (CID 167082780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).