1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxy-4-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]oxyphenyl]benzene

C25H26O2 — CID 166945579

IUPAC1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxy-4-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]oxyphenyl]benzene
SMILESC=C/C=C\C(=C/C)Oc1ccc(-c2ccc(OC(/C=C\C)=C/C)cc2)cc1
InChIInChI=1S/C25H26O2/c1-5-9-11-23(8-4)27-25-18-14-21(15-19-25)20-12-16-24(17-13-20)26-22(7-3)10-6-2/h5-19H,1H2,2-4H3/b10-6-,11-9-,22-7+,23-8+
InChIKeyURBXAGQVLOEXJG-QNKSATHOSA-N
MW358.48 g/mol
LogP7.24
Rot. Bonds8

About 1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxy-4-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]oxyphenyl]benzene

1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxy-4-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]oxyphenyl]benzene (PubChem CID 166945579) has the molecular formula C25H26O2 and a molecular weight of 358.48 g/mol. Its IUPAC name is 1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxy-4-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]oxyphenyl]benzene.

Molecular Properties

Compound Name1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxy-4-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]oxyphenyl]benzene
PubChem CID166945579
Molecular FormulaC25H26O2
Molecular Weight358.48 g/mol
Exact Mass358.19
IUPAC Name1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxy-4-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]oxyphenyl]benzene
SMILESC=C/C=C\C(=C/C)Oc1ccc(-c2ccc(OC(/C=C\C)=C/C)cc2)cc1
InChIInChI=1S/C25H26O2/c1-5-9-11-23(8-4)27-25-18-14-21(15-19-25)20-12-16-24(17-13-20)26-22(7-3)10-6-2/h5-19H,1H2,2-4H3/b10-6-,11-9-,22-7+,23-8+
InChIKeyURBXAGQVLOEXJG-QNKSATHOSA-N
XLogP7.24
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.48
LogP ≤ 57.24
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)-hepta-2,4,6-trien-3-yl]oxy-4-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]oxyphenyl]benzene?
The IUPAC name of 1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxy-4-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]oxyphenyl]benzene (CID 166945579) is 1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxy-4-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]oxyphenyl]benzene.
What is the SMILES notation for 1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxy-4-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]oxyphenyl]benzene?
The canonical SMILES for 1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxy-4-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]oxyphenyl]benzene is C=C/C=C\C(=C/C)Oc1ccc(-c2ccc(OC(/C=C\C)=C/C)cc2)cc1.
What is the InChIKey of 1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxy-4-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]oxyphenyl]benzene?
The InChIKey is URBXAGQVLOEXJG-QNKSATHOSA-N. The full InChI is InChI=1S/C25H26O2/c1-5-9-11-23(8-4)27-25-18-14-21(15-19-25)20-12-16-24(17-13-20)26-22(7-3)10-6-2/h5-19H,1H2,2-4H3/b10-6-,11-9-,22-7+,23-8+.
What are the key properties of 1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxy-4-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]oxyphenyl]benzene?
1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxy-4-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]oxyphenyl]benzene has a molecular weight of 358.48 g/mol, XLogP of 7.24, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxy-4-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]oxyphenyl]benzene is sourced from PubChem (CID 166945579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).