1-methoxy-4-[[(3E)-4-[2-[(4-methoxyphenyl)methoxy]ethyl]-6-methylhepta-3,6-dienoxy]methyl]benzene

C26H34O4 — CID 101454627

IUPAC1-methoxy-4-[[(3E)-4-[2-[(4-methoxyphenyl)methoxy]ethyl]-6-methylhepta-3,6-dienoxy]methyl]benzene
SMILESC=C(C)C/C(=C\CCOCc1ccc(OC)cc1)CCOCc1ccc(OC)cc1
InChIInChI=1S/C26H34O4/c1-21(2)18-22(15-17-30-20-24-9-13-26(28-4)14-10-24)6-5-16-29-19-23-7-11-25(27-3)12-8-23/h6-14H,1,5,15-20H2,2-4H3/b22-6-
InChIKeyIWKDKKFIOJNYML-HCDFXORVSA-N
MW410.55 g/mol
LogP6.11
Rot. Bonds14

About 1-methoxy-4-[[(3E)-4-[2-[(4-methoxyphenyl)methoxy]ethyl]-6-methylhepta-3,6-dienoxy]methyl]benzene

1-methoxy-4-[[(3E)-4-[2-[(4-methoxyphenyl)methoxy]ethyl]-6-methylhepta-3,6-dienoxy]methyl]benzene (PubChem CID 101454627) has the molecular formula C26H34O4 and a molecular weight of 410.55 g/mol. Its IUPAC name is 1-methoxy-4-[[(3E)-4-[2-[(4-methoxyphenyl)methoxy]ethyl]-6-methylhepta-3,6-dienoxy]methyl]benzene.

Molecular Properties

Compound Name1-methoxy-4-[[(3E)-4-[2-[(4-methoxyphenyl)methoxy]ethyl]-6-methylhepta-3,6-dienoxy]methyl]benzene
PubChem CID101454627
Molecular FormulaC26H34O4
Molecular Weight410.55 g/mol
Exact Mass410.25
IUPAC Name1-methoxy-4-[[(3E)-4-[2-[(4-methoxyphenyl)methoxy]ethyl]-6-methylhepta-3,6-dienoxy]methyl]benzene
SMILESC=C(C)C/C(=C\CCOCc1ccc(OC)cc1)CCOCc1ccc(OC)cc1
InChIInChI=1S/C26H34O4/c1-21(2)18-22(15-17-30-20-24-9-13-26(28-4)14-10-24)6-5-16-29-19-23-7-11-25(27-3)12-8-23/h6-14H,1,5,15-20H2,2-4H3/b22-6-
InChIKeyIWKDKKFIOJNYML-HCDFXORVSA-N
XLogP6.11
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.55
LogP ≤ 56.11
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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Related Compounds

1-methoxy-4-[[(3E)-4-[2-[(4-methoxyphenyl)methoxy]ethyl]hepta-3,6-dienoxy]methyl]benzene
CID 101454626
1-methoxy-4-[[(3E,6E)-4-[2-[(4-methoxyphenyl)methoxy]ethyl]-7-phenylhepta-3,6-dienoxy]methyl]benzene
CID 101454631
(3E,5Z)-8-[(4-methoxyphenyl)methoxy]-5-[2-[(4-methoxyphenyl)methoxy]ethyl]-4-methylocta-3,5-dien-1-ol
CID 101399709
(E)-6-[(4-methoxyphenyl)methoxy]hex-3-en-2-one
CID 10752160
1-[[(Z)-3-cyclopent-2-en-1-yl-6-[(4-methoxyphenyl)methoxy]hex-3-enoxy]methyl]-4-methoxybenzene
CID 177407147
1-methoxy-4-[[4-(methoxymethoxy)-2-methylidenebutoxy]methyl]benzene
CID 89374249
1-(2,4-dimethylpent-4-enoxymethyl)-4-methoxybenzene
CID 78130053
1-[3-[(4-methoxyphenyl)methoxy]propyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide
CID 111099443
(3R)-6-[(4-methoxyphenyl)methoxy]hex-1-en-3-ol
CID 24864257
1-methoxy-4-(2-methylsulfanyloxyethoxymethyl)benzene
CID 143732018
(3R)-1-[(4-methoxyphenyl)methoxy]non-8-en-3-amine
CID 71480450
5-[(4-methoxyphenyl)methoxy]pentanehydrazide
CID 63575038

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-[[(3E)-4-[2-[(4-methoxyphenyl)methoxy]ethyl]-6-methylhepta-3,6-dienoxy]methyl]benzene?
The IUPAC name of 1-methoxy-4-[[(3E)-4-[2-[(4-methoxyphenyl)methoxy]ethyl]-6-methylhepta-3,6-dienoxy]methyl]benzene (CID 101454627) is 1-methoxy-4-[[(3E)-4-[2-[(4-methoxyphenyl)methoxy]ethyl]-6-methylhepta-3,6-dienoxy]methyl]benzene.
What is the SMILES notation for 1-methoxy-4-[[(3E)-4-[2-[(4-methoxyphenyl)methoxy]ethyl]-6-methylhepta-3,6-dienoxy]methyl]benzene?
The canonical SMILES for 1-methoxy-4-[[(3E)-4-[2-[(4-methoxyphenyl)methoxy]ethyl]-6-methylhepta-3,6-dienoxy]methyl]benzene is C=C(C)C/C(=C\CCOCc1ccc(OC)cc1)CCOCc1ccc(OC)cc1.
What is the InChIKey of 1-methoxy-4-[[(3E)-4-[2-[(4-methoxyphenyl)methoxy]ethyl]-6-methylhepta-3,6-dienoxy]methyl]benzene?
The InChIKey is IWKDKKFIOJNYML-HCDFXORVSA-N. The full InChI is InChI=1S/C26H34O4/c1-21(2)18-22(15-17-30-20-24-9-13-26(28-4)14-10-24)6-5-16-29-19-23-7-11-25(27-3)12-8-23/h6-14H,1,5,15-20H2,2-4H3/b22-6-.
What are the key properties of 1-methoxy-4-[[(3E)-4-[2-[(4-methoxyphenyl)methoxy]ethyl]-6-methylhepta-3,6-dienoxy]methyl]benzene?
1-methoxy-4-[[(3E)-4-[2-[(4-methoxyphenyl)methoxy]ethyl]-6-methylhepta-3,6-dienoxy]methyl]benzene has a molecular weight of 410.55 g/mol, XLogP of 6.11, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-[[(3E)-4-[2-[(4-methoxyphenyl)methoxy]ethyl]-6-methylhepta-3,6-dienoxy]methyl]benzene is sourced from PubChem (CID 101454627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).