1-methoxy-4-[(1Z,3E)-1-methoxy-5-(4-methoxyphenyl)penta-1,3-dienyl]benzene

C20H22O3 — CID 164676362

IUPAC1-methoxy-4-[(1Z,3E)-1-methoxy-5-(4-methoxyphenyl)penta-1,3-dienyl]benzene
SMILESCO/C(=C\C=C\Cc1ccc(OC)cc1)c1ccc(OC)cc1
InChIInChI=1S/C20H22O3/c1-21-18-12-8-16(9-13-18)6-4-5-7-20(23-3)17-10-14-19(22-2)15-11-17/h4-5,7-15H,6H2,1-3H3/b5-4+,20-7-
InChIKeyPHJDWMLNVLAJSU-PQVWQCQBSA-N
MW310.39 g/mol
LogP4.49
Rot. Bonds7

About 1-methoxy-4-[(1Z,3E)-1-methoxy-5-(4-methoxyphenyl)penta-1,3-dienyl]benzene

1-methoxy-4-[(1Z,3E)-1-methoxy-5-(4-methoxyphenyl)penta-1,3-dienyl]benzene (PubChem CID 164676362) has the molecular formula C20H22O3 and a molecular weight of 310.39 g/mol. Its IUPAC name is 1-methoxy-4-[(1Z,3E)-1-methoxy-5-(4-methoxyphenyl)penta-1,3-dienyl]benzene.

Molecular Properties

Compound Name1-methoxy-4-[(1Z,3E)-1-methoxy-5-(4-methoxyphenyl)penta-1,3-dienyl]benzene
PubChem CID164676362
Molecular FormulaC20H22O3
Molecular Weight310.39 g/mol
Exact Mass310.16
IUPAC Name1-methoxy-4-[(1Z,3E)-1-methoxy-5-(4-methoxyphenyl)penta-1,3-dienyl]benzene
SMILESCO/C(=C\C=C\Cc1ccc(OC)cc1)c1ccc(OC)cc1
InChIInChI=1S/C20H22O3/c1-21-18-12-8-16(9-13-18)6-4-5-7-20(23-3)17-10-14-19(22-2)15-11-17/h4-5,7-15H,6H2,1-3H3/b5-4+,20-7-
InChIKeyPHJDWMLNVLAJSU-PQVWQCQBSA-N
XLogP4.49
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

1-methoxy-4-[4-(4-methoxyphenyl)but-2-enyl]benzene
CID 54485845
1-methoxy-4-[(Z)-1-methoxyprop-1-enyl]benzene
CID 10329885
1-methoxy-4-[(E)-3-(4-methoxyphenyl)prop-1-enyl]benzene
CID 10800947
(E)-4-(4-methoxyphenyl)but-2-enoic acid
CID 67215752
4-(4-methoxyphenyl)but-2-enoic acid
CID 57252854
(E)-2,4-bis(4-methoxyphenyl)but-2-en-1-ol
CID 155188372
(E)-2,4-bis(4-methoxyphenyl)but-2-enal
CID 10493156
1-[(2E)-4-chloro-5-methylhexa-2,4-dienyl]-4-methoxybenzene
CID 102046770
1-[(E)-1-ethoxyprop-1-enyl]-4-methoxybenzene
CID 12531526
2-(4-hydroxyphenyl)-4-(4-methoxyphenyl)but-2-enal
CID 174932232
1-[(2E,6E)-dodeca-2,6-dienyl]-4-methoxybenzene
CID 88540925
1-bromo-4-[(E)-3-(4-methoxyphenyl)prop-1-enyl]benzene
CID 101485865

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-[(1Z,3E)-1-methoxy-5-(4-methoxyphenyl)penta-1,3-dienyl]benzene?
The IUPAC name of 1-methoxy-4-[(1Z,3E)-1-methoxy-5-(4-methoxyphenyl)penta-1,3-dienyl]benzene (CID 164676362) is 1-methoxy-4-[(1Z,3E)-1-methoxy-5-(4-methoxyphenyl)penta-1,3-dienyl]benzene.
What is the SMILES notation for 1-methoxy-4-[(1Z,3E)-1-methoxy-5-(4-methoxyphenyl)penta-1,3-dienyl]benzene?
The canonical SMILES for 1-methoxy-4-[(1Z,3E)-1-methoxy-5-(4-methoxyphenyl)penta-1,3-dienyl]benzene is CO/C(=C\C=C\Cc1ccc(OC)cc1)c1ccc(OC)cc1.
What is the InChIKey of 1-methoxy-4-[(1Z,3E)-1-methoxy-5-(4-methoxyphenyl)penta-1,3-dienyl]benzene?
The InChIKey is PHJDWMLNVLAJSU-PQVWQCQBSA-N. The full InChI is InChI=1S/C20H22O3/c1-21-18-12-8-16(9-13-18)6-4-5-7-20(23-3)17-10-14-19(22-2)15-11-17/h4-5,7-15H,6H2,1-3H3/b5-4+,20-7-.
What are the key properties of 1-methoxy-4-[(1Z,3E)-1-methoxy-5-(4-methoxyphenyl)penta-1,3-dienyl]benzene?
1-methoxy-4-[(1Z,3E)-1-methoxy-5-(4-methoxyphenyl)penta-1,3-dienyl]benzene has a molecular weight of 310.39 g/mol, XLogP of 4.49, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-[(1Z,3E)-1-methoxy-5-(4-methoxyphenyl)penta-1,3-dienyl]benzene is sourced from PubChem (CID 164676362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).