[(1E,3E)-1,4-bis(4-methoxyphenyl)buta-1,3-dienyl] acetate

C20H20O4 — CID 100938634

IUPAC[(1E,3E)-1,4-bis(4-methoxyphenyl)buta-1,3-dienyl] acetate
SMILESCOc1ccc(/C=C/C=C(/OC(C)=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C20H20O4/c1-15(21)24-20(17-9-13-19(23-3)14-10-17)6-4-5-16-7-11-18(22-2)12-8-16/h4-14H,1-3H3/b5-4+,20-6+
InChIKeyDYSFMYFCYLCRSE-GERLSISUSA-N
MW324.38 g/mol
LogP4.32
Rot. Bonds6

About [(1E,3E)-1,4-bis(4-methoxyphenyl)buta-1,3-dienyl] acetate

[(1E,3E)-1,4-bis(4-methoxyphenyl)buta-1,3-dienyl] acetate (PubChem CID 100938634) has the molecular formula C20H20O4 and a molecular weight of 324.38 g/mol. Its IUPAC name is [(1E,3E)-1,4-bis(4-methoxyphenyl)buta-1,3-dienyl] acetate.

Molecular Properties

Compound Name[(1E,3E)-1,4-bis(4-methoxyphenyl)buta-1,3-dienyl] acetate
PubChem CID100938634
Molecular FormulaC20H20O4
Molecular Weight324.38 g/mol
Exact Mass324.14
IUPAC Name[(1E,3E)-1,4-bis(4-methoxyphenyl)buta-1,3-dienyl] acetate
SMILESCOc1ccc(/C=C/C=C(/OC(C)=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C20H20O4/c1-15(21)24-20(17-9-13-19(23-3)14-10-17)6-4-5-16-7-11-18(22-2)12-8-16/h4-14H,1-3H3/b5-4+,20-6+
InChIKeyDYSFMYFCYLCRSE-GERLSISUSA-N
XLogP4.32
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[(1E)-4-methylpenta-1,3-dienyl]benzene
CID 10965272
methyl 4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]benzoate
CID 77432563
methyl (2E,3E,5E)-2-(methoxymethylidene)-6-(4-methoxyphenyl)-3-methylhexa-3,5-dienoate
CID 6510108
(2Z,4E)-2-amino-5-(4-methoxyphenyl)-1-phenylpenta-2,4-dien-1-one
CID 46223650
5-(4-chlorophenyl)-1-(4-methoxyphenyl)penta-2,4-dien-1-one
CID 71384226
(2E,4E)-5-(4-chlorophenyl)-1-(4-methoxyphenyl)penta-2,4-dien-1-one
CID 127040918
1-methoxy-4-[2-[4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene
CID 76573307
[4-[(1E,3Z,5E,7E)-3-(4-methoxyphenyl)-7-methyl-9-oxonona-1,3,5,7-tetraenyl]phenyl] acetate
CID 121364402
ethane;methyl acetate;methyl (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 142213169
(2E,4E)-5-(4-methoxyphenyl)-2-(4-methylphenyl)penta-2,4-dienenitrile
CID 6341462
(2E,4E)-5-(4-methoxyphenyl)-1-phenylpenta-2,4-dien-1-one
CID 10539553
4-[(1E)-4,4-bis(4-methylphenyl)buta-1,3-dienyl]-N,N-bis(4-methoxyphenyl)aniline
CID 87385829

Frequently Asked Questions

What is the IUPAC name of [(1E,3E)-1,4-bis(4-methoxyphenyl)buta-1,3-dienyl] acetate?
The IUPAC name of [(1E,3E)-1,4-bis(4-methoxyphenyl)buta-1,3-dienyl] acetate (CID 100938634) is [(1E,3E)-1,4-bis(4-methoxyphenyl)buta-1,3-dienyl] acetate.
What is the SMILES notation for [(1E,3E)-1,4-bis(4-methoxyphenyl)buta-1,3-dienyl] acetate?
The canonical SMILES for [(1E,3E)-1,4-bis(4-methoxyphenyl)buta-1,3-dienyl] acetate is COc1ccc(/C=C/C=C(/OC(C)=O)c2ccc(OC)cc2)cc1.
What is the InChIKey of [(1E,3E)-1,4-bis(4-methoxyphenyl)buta-1,3-dienyl] acetate?
The InChIKey is DYSFMYFCYLCRSE-GERLSISUSA-N. The full InChI is InChI=1S/C20H20O4/c1-15(21)24-20(17-9-13-19(23-3)14-10-17)6-4-5-16-7-11-18(22-2)12-8-16/h4-14H,1-3H3/b5-4+,20-6+.
What are the key properties of [(1E,3E)-1,4-bis(4-methoxyphenyl)buta-1,3-dienyl] acetate?
[(1E,3E)-1,4-bis(4-methoxyphenyl)buta-1,3-dienyl] acetate has a molecular weight of 324.38 g/mol, XLogP of 4.32, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1E,3E)-1,4-bis(4-methoxyphenyl)buta-1,3-dienyl] acetate is sourced from PubChem (CID 100938634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).