1-[(E)-3-[(2E,4E)-hexa-2,4-dienoxy]prop-1-enyl]-4-methoxybenzene

C16H20O2 — CID 14919714

IUPAC1-[(E)-3-[(2E,4E)-hexa-2,4-dienoxy]prop-1-enyl]-4-methoxybenzene
SMILESC/C=C/C=C/COC/C=C/c1ccc(OC)cc1
InChIInChI=1S/C16H20O2/c1-3-4-5-6-13-18-14-7-8-15-9-11-16(17-2)12-10-15/h3-12H,13-14H2,1-2H3/b4-3+,6-5+,8-7+
InChIKeyOZTQJYCWYQGMLK-ARQDATDDSA-N
MW244.33 g/mol
LogP3.86
Rot. Bonds7

About 1-[(E)-3-[(2E,4E)-hexa-2,4-dienoxy]prop-1-enyl]-4-methoxybenzene

1-[(E)-3-[(2E,4E)-hexa-2,4-dienoxy]prop-1-enyl]-4-methoxybenzene (PubChem CID 14919714) has the molecular formula C16H20O2 and a molecular weight of 244.33 g/mol. Its IUPAC name is 1-[(E)-3-[(2E,4E)-hexa-2,4-dienoxy]prop-1-enyl]-4-methoxybenzene.

Molecular Properties

Compound Name1-[(E)-3-[(2E,4E)-hexa-2,4-dienoxy]prop-1-enyl]-4-methoxybenzene
PubChem CID14919714
Molecular FormulaC16H20O2
Molecular Weight244.33 g/mol
Exact Mass244.15
IUPAC Name1-[(E)-3-[(2E,4E)-hexa-2,4-dienoxy]prop-1-enyl]-4-methoxybenzene
SMILESC/C=C/C=C/COC/C=C/c1ccc(OC)cc1
InChIInChI=1S/C16H20O2/c1-3-4-5-6-13-18-14-7-8-15-9-11-16(17-2)12-10-15/h3-12H,13-14H2,1-2H3/b4-3+,6-5+,8-7+
InChIKeyOZTQJYCWYQGMLK-ARQDATDDSA-N
XLogP3.86
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3-butoxyprop-1-enyl)-4-methoxybenzene
CID 72750834
1-[(E)-3-iodoprop-1-enyl]-4-methoxybenzene
CID 135075727
1-methoxy-4-prop-1-enylbenzene
CID 67322568
1-methoxy-4-(3-phenoxyprop-1-enyl)benzene
CID 67215625
1-methoxy-4-[2-[4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene
CID 76573307
(2E,4E)-5-(4-methoxyphenyl)penta-2,4-dien-1-ol
CID 2253109
1-methoxy-4-[(E)-3-(4-methoxyphenyl)prop-1-enyl]benzene
CID 10800947
4-[3-[3-(4-hydroxyphenyl)prop-2-enoxy]prop-1-enyl]phenol
CID 57222494
1-[(E)-3-(4-methoxyphenyl)prop-2-enoxy]pyrrolidine-2,5-dione
CID 154707822
1-methyl-4-[(4Z,6Z)-octa-1,4,6-trienyl]benzene
CID 145008709
N-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-2-methylpropan-1-amine
CID 50999745
[(2E,4E)-hexa-2,4-dienyl] 2-(6-methoxynaphthalen-2-yl)propanoate
CID 10425510

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-[(2E,4E)-hexa-2,4-dienoxy]prop-1-enyl]-4-methoxybenzene?
The IUPAC name of 1-[(E)-3-[(2E,4E)-hexa-2,4-dienoxy]prop-1-enyl]-4-methoxybenzene (CID 14919714) is 1-[(E)-3-[(2E,4E)-hexa-2,4-dienoxy]prop-1-enyl]-4-methoxybenzene.
What is the SMILES notation for 1-[(E)-3-[(2E,4E)-hexa-2,4-dienoxy]prop-1-enyl]-4-methoxybenzene?
The canonical SMILES for 1-[(E)-3-[(2E,4E)-hexa-2,4-dienoxy]prop-1-enyl]-4-methoxybenzene is C/C=C/C=C/COC/C=C/c1ccc(OC)cc1.
What is the InChIKey of 1-[(E)-3-[(2E,4E)-hexa-2,4-dienoxy]prop-1-enyl]-4-methoxybenzene?
The InChIKey is OZTQJYCWYQGMLK-ARQDATDDSA-N. The full InChI is InChI=1S/C16H20O2/c1-3-4-5-6-13-18-14-7-8-15-9-11-16(17-2)12-10-15/h3-12H,13-14H2,1-2H3/b4-3+,6-5+,8-7+.
What are the key properties of 1-[(E)-3-[(2E,4E)-hexa-2,4-dienoxy]prop-1-enyl]-4-methoxybenzene?
1-[(E)-3-[(2E,4E)-hexa-2,4-dienoxy]prop-1-enyl]-4-methoxybenzene has a molecular weight of 244.33 g/mol, XLogP of 3.86, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-[(2E,4E)-hexa-2,4-dienoxy]prop-1-enyl]-4-methoxybenzene is sourced from PubChem (CID 14919714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).