1-methoxy-4-[(1E,5E)-6-(4-methoxyphenyl)hexa-1,5-dienyl]benzene

C20H22O2 — CID 11140953

IUPAC1-methoxy-4-[(1E,5E)-6-(4-methoxyphenyl)hexa-1,5-dienyl]benzene
SMILESCOc1ccc(/C=C/CC/C=C/c2ccc(OC)cc2)cc1
InChIInChI=1S/C20H22O2/c1-21-19-13-9-17(10-14-19)7-5-3-4-6-8-18-11-15-20(22-2)16-12-18/h5-16H,3-4H2,1-2H3/b7-5+,8-6+
InChIKeyFWOYMKXDIXNXIC-KQQUZDAGSA-N
MW294.39 g/mol
LogP5.21
Rot. Bonds7

About 1-methoxy-4-[(1E,5E)-6-(4-methoxyphenyl)hexa-1,5-dienyl]benzene

1-methoxy-4-[(1E,5E)-6-(4-methoxyphenyl)hexa-1,5-dienyl]benzene (PubChem CID 11140953) has the molecular formula C20H22O2 and a molecular weight of 294.39 g/mol. Its IUPAC name is 1-methoxy-4-[(1E,5E)-6-(4-methoxyphenyl)hexa-1,5-dienyl]benzene.

Molecular Properties

Compound Name1-methoxy-4-[(1E,5E)-6-(4-methoxyphenyl)hexa-1,5-dienyl]benzene
PubChem CID11140953
Molecular FormulaC20H22O2
Molecular Weight294.39 g/mol
Exact Mass294.16
IUPAC Name1-methoxy-4-[(1E,5E)-6-(4-methoxyphenyl)hexa-1,5-dienyl]benzene
SMILESCOc1ccc(/C=C/CC/C=C/c2ccc(OC)cc2)cc1
InChIInChI=1S/C20H22O2/c1-21-19-13-9-17(10-14-19)7-5-3-4-6-8-18-11-15-20(22-2)16-12-18/h5-16H,3-4H2,1-2H3/b7-5+,8-6+
InChIKeyFWOYMKXDIXNXIC-KQQUZDAGSA-N
XLogP5.21
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.39
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-[(1E,5E)-6-(4-methoxyphenyl)hexa-1,5-dienyl]benzene?
The IUPAC name of 1-methoxy-4-[(1E,5E)-6-(4-methoxyphenyl)hexa-1,5-dienyl]benzene (CID 11140953) is 1-methoxy-4-[(1E,5E)-6-(4-methoxyphenyl)hexa-1,5-dienyl]benzene.
What is the SMILES notation for 1-methoxy-4-[(1E,5E)-6-(4-methoxyphenyl)hexa-1,5-dienyl]benzene?
The canonical SMILES for 1-methoxy-4-[(1E,5E)-6-(4-methoxyphenyl)hexa-1,5-dienyl]benzene is COc1ccc(/C=C/CC/C=C/c2ccc(OC)cc2)cc1.
What is the InChIKey of 1-methoxy-4-[(1E,5E)-6-(4-methoxyphenyl)hexa-1,5-dienyl]benzene?
The InChIKey is FWOYMKXDIXNXIC-KQQUZDAGSA-N. The full InChI is InChI=1S/C20H22O2/c1-21-19-13-9-17(10-14-19)7-5-3-4-6-8-18-11-15-20(22-2)16-12-18/h5-16H,3-4H2,1-2H3/b7-5+,8-6+.
What are the key properties of 1-methoxy-4-[(1E,5E)-6-(4-methoxyphenyl)hexa-1,5-dienyl]benzene?
1-methoxy-4-[(1E,5E)-6-(4-methoxyphenyl)hexa-1,5-dienyl]benzene has a molecular weight of 294.39 g/mol, XLogP of 5.21, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-[(1E,5E)-6-(4-methoxyphenyl)hexa-1,5-dienyl]benzene is sourced from PubChem (CID 11140953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).