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

C25H32O4 — CID 101454626

IUPAC1-methoxy-4-[[(3E)-4-[2-[(4-methoxyphenyl)methoxy]ethyl]hepta-3,6-dienoxy]methyl]benzene
SMILESC=CC/C(=C\CCOCc1ccc(OC)cc1)CCOCc1ccc(OC)cc1
InChIInChI=1S/C25H32O4/c1-4-6-21(16-18-29-20-23-10-14-25(27-3)15-11-23)7-5-17-28-19-22-8-12-24(26-2)13-9-22/h4,7-15H,1,5-6,16-20H2,2-3H3/b21-7+
InChIKeyVLDUHDYFLKTLBC-QPSGOUHRSA-N
MW396.53 g/mol
LogP5.72
Rot. Bonds14

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

1-methoxy-4-[[(3E)-4-[2-[(4-methoxyphenyl)methoxy]ethyl]hepta-3,6-dienoxy]methyl]benzene (PubChem CID 101454626) has the molecular formula C25H32O4 and a molecular weight of 396.53 g/mol. Its IUPAC name is 1-methoxy-4-[[(3E)-4-[2-[(4-methoxyphenyl)methoxy]ethyl]hepta-3,6-dienoxy]methyl]benzene.

Molecular Properties

Compound Name1-methoxy-4-[[(3E)-4-[2-[(4-methoxyphenyl)methoxy]ethyl]hepta-3,6-dienoxy]methyl]benzene
PubChem CID101454626
Molecular FormulaC25H32O4
Molecular Weight396.53 g/mol
Exact Mass396.23
IUPAC Name1-methoxy-4-[[(3E)-4-[2-[(4-methoxyphenyl)methoxy]ethyl]hepta-3,6-dienoxy]methyl]benzene
SMILESC=CC/C(=C\CCOCc1ccc(OC)cc1)CCOCc1ccc(OC)cc1
InChIInChI=1S/C25H32O4/c1-4-6-21(16-18-29-20-23-10-14-25(27-3)15-11-23)7-5-17-28-19-22-8-12-24(26-2)13-9-22/h4,7-15H,1,5-6,16-20H2,2-3H3/b21-7+
InChIKeyVLDUHDYFLKTLBC-QPSGOUHRSA-N
XLogP5.72
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.53
LogP ≤ 55.72
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]-6-methylhepta-3,6-dienoxy]methyl]benzene
CID 101454627
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
(3R)-1-[(4-methoxyphenyl)methoxy]non-8-en-3-amine
CID 71480450
1-[[(Z)-3-cyclopent-2-en-1-yl-6-[(4-methoxyphenyl)methoxy]hex-3-enoxy]methyl]-4-methoxybenzene
CID 177407147
(3R)-6-[(4-methoxyphenyl)methoxy]hex-1-en-3-ol
CID 24864257
(3S)-1-[(4-methoxyphenyl)methoxy]hex-5-en-3-ol
CID 46900175
(E)-6-[(4-methoxyphenyl)methoxy]hex-3-en-2-one
CID 10752160
1-methoxy-4-[[4-(methoxymethoxy)-2-methylidenebutoxy]methyl]benzene
CID 89374249
(3S,4S,5E,7Z)-3-ethyl-7-iodo-10-[(4-methoxyphenyl)methoxy]deca-1,5,7-trien-4-ol
CID 24900141
1-methoxy-4-[2-(2-methoxyethoxy)ethoxymethyl]benzene
CID 102074732
(3S)-1-[(4-methoxyphenyl)methoxy]hexa-4,5-dien-3-ol
CID 11770384

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-[[(3E)-4-[2-[(4-methoxyphenyl)methoxy]ethyl]hepta-3,6-dienoxy]methyl]benzene?
The IUPAC name of 1-methoxy-4-[[(3E)-4-[2-[(4-methoxyphenyl)methoxy]ethyl]hepta-3,6-dienoxy]methyl]benzene (CID 101454626) is 1-methoxy-4-[[(3E)-4-[2-[(4-methoxyphenyl)methoxy]ethyl]hepta-3,6-dienoxy]methyl]benzene.
What is the SMILES notation for 1-methoxy-4-[[(3E)-4-[2-[(4-methoxyphenyl)methoxy]ethyl]hepta-3,6-dienoxy]methyl]benzene?
The canonical SMILES for 1-methoxy-4-[[(3E)-4-[2-[(4-methoxyphenyl)methoxy]ethyl]hepta-3,6-dienoxy]methyl]benzene is C=CC/C(=C\CCOCc1ccc(OC)cc1)CCOCc1ccc(OC)cc1.
What is the InChIKey of 1-methoxy-4-[[(3E)-4-[2-[(4-methoxyphenyl)methoxy]ethyl]hepta-3,6-dienoxy]methyl]benzene?
The InChIKey is VLDUHDYFLKTLBC-QPSGOUHRSA-N. The full InChI is InChI=1S/C25H32O4/c1-4-6-21(16-18-29-20-23-10-14-25(27-3)15-11-23)7-5-17-28-19-22-8-12-24(26-2)13-9-22/h4,7-15H,1,5-6,16-20H2,2-3H3/b21-7+.
What are the key properties of 1-methoxy-4-[[(3E)-4-[2-[(4-methoxyphenyl)methoxy]ethyl]hepta-3,6-dienoxy]methyl]benzene?
1-methoxy-4-[[(3E)-4-[2-[(4-methoxyphenyl)methoxy]ethyl]hepta-3,6-dienoxy]methyl]benzene has a molecular weight of 396.53 g/mol, XLogP of 5.72, 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]hepta-3,6-dienoxy]methyl]benzene is sourced from PubChem (CID 101454626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).