1-ethoxy-4-[(2E,4E)-5-methoxyhepta-2,4-dien-2-yl]benzene

C16H22O2 — CID 142927159

IUPAC1-ethoxy-4-[(2E,4E)-5-methoxyhepta-2,4-dien-2-yl]benzene
SMILESCCOc1ccc(/C(C)=C/C=C(\CC)OC)cc1
InChIInChI=1S/C16H22O2/c1-5-15(17-4)10-7-13(3)14-8-11-16(12-9-14)18-6-2/h7-12H,5-6H2,1-4H3/b13-7+,15-10+
InChIKeyVLAAPOIKUAYIDC-OOVVNSOSSA-N
MW246.35 g/mol
LogP4.43
Rot. Bonds6

About 1-ethoxy-4-[(2E,4E)-5-methoxyhepta-2,4-dien-2-yl]benzene

1-ethoxy-4-[(2E,4E)-5-methoxyhepta-2,4-dien-2-yl]benzene (PubChem CID 142927159) has the molecular formula C16H22O2 and a molecular weight of 246.35 g/mol. Its IUPAC name is 1-ethoxy-4-[(2E,4E)-5-methoxyhepta-2,4-dien-2-yl]benzene.

Molecular Properties

Compound Name1-ethoxy-4-[(2E,4E)-5-methoxyhepta-2,4-dien-2-yl]benzene
PubChem CID142927159
Molecular FormulaC16H22O2
Molecular Weight246.35 g/mol
Exact Mass246.16
IUPAC Name1-ethoxy-4-[(2E,4E)-5-methoxyhepta-2,4-dien-2-yl]benzene
SMILESCCOc1ccc(/C(C)=C/C=C(\CC)OC)cc1
InChIInChI=1S/C16H22O2/c1-5-15(17-4)10-7-13(3)14-8-11-16(12-9-14)18-6-2/h7-12H,5-6H2,1-4H3/b13-7+,15-10+
InChIKeyVLAAPOIKUAYIDC-OOVVNSOSSA-N
XLogP4.43
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 54.43
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-ethoxy-4-[(2E,4E)-5-methoxyhepta-2,4-dien-2-yl]benzene?
The IUPAC name of 1-ethoxy-4-[(2E,4E)-5-methoxyhepta-2,4-dien-2-yl]benzene (CID 142927159) is 1-ethoxy-4-[(2E,4E)-5-methoxyhepta-2,4-dien-2-yl]benzene.
What is the SMILES notation for 1-ethoxy-4-[(2E,4E)-5-methoxyhepta-2,4-dien-2-yl]benzene?
The canonical SMILES for 1-ethoxy-4-[(2E,4E)-5-methoxyhepta-2,4-dien-2-yl]benzene is CCOc1ccc(/C(C)=C/C=C(\CC)OC)cc1.
What is the InChIKey of 1-ethoxy-4-[(2E,4E)-5-methoxyhepta-2,4-dien-2-yl]benzene?
The InChIKey is VLAAPOIKUAYIDC-OOVVNSOSSA-N. The full InChI is InChI=1S/C16H22O2/c1-5-15(17-4)10-7-13(3)14-8-11-16(12-9-14)18-6-2/h7-12H,5-6H2,1-4H3/b13-7+,15-10+.
What are the key properties of 1-ethoxy-4-[(2E,4E)-5-methoxyhepta-2,4-dien-2-yl]benzene?
1-ethoxy-4-[(2E,4E)-5-methoxyhepta-2,4-dien-2-yl]benzene has a molecular weight of 246.35 g/mol, XLogP of 4.43, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-4-[(2E,4E)-5-methoxyhepta-2,4-dien-2-yl]benzene is sourced from PubChem (CID 142927159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).