[(1E,3E)-3-acetyloxy-1,4-diphenylbuta-1,3-dien-2-yl] acetate

C20H18O4 — CID 102523704

IUPAC[(1E,3E)-3-acetyloxy-1,4-diphenylbuta-1,3-dien-2-yl] acetate
SMILESCC(=O)OC(=C/c1ccccc1)/C(=C\c1ccccc1)OC(C)=O
InChIInChI=1S/C20H18O4/c1-15(21)23-19(13-17-9-5-3-6-10-17)20(24-16(2)22)14-18-11-7-4-8-12-18/h3-14H,1-2H3/b19-13+,20-14+
InChIKeyVOAROIZUGMCKNC-IWGRKNQJSA-N
MW322.36 g/mol
LogP4.19
Rot. Bonds5

About [(1E,3E)-3-acetyloxy-1,4-diphenylbuta-1,3-dien-2-yl] acetate

[(1E,3E)-3-acetyloxy-1,4-diphenylbuta-1,3-dien-2-yl] acetate (PubChem CID 102523704) has the molecular formula C20H18O4 and a molecular weight of 322.36 g/mol. Its IUPAC name is [(1E,3E)-3-acetyloxy-1,4-diphenylbuta-1,3-dien-2-yl] acetate.

Molecular Properties

Compound Name[(1E,3E)-3-acetyloxy-1,4-diphenylbuta-1,3-dien-2-yl] acetate
PubChem CID102523704
Molecular FormulaC20H18O4
Molecular Weight322.36 g/mol
Exact Mass322.12
IUPAC Name[(1E,3E)-3-acetyloxy-1,4-diphenylbuta-1,3-dien-2-yl] acetate
SMILESCC(=O)OC(=C/c1ccccc1)/C(=C\c1ccccc1)OC(C)=O
InChIInChI=1S/C20H18O4/c1-15(21)23-19(13-17-9-5-3-6-10-17)20(24-16(2)22)14-18-11-7-4-8-12-18/h3-14H,1-2H3/b19-13+,20-14+
InChIKeyVOAROIZUGMCKNC-IWGRKNQJSA-N
XLogP4.19
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 54.19
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

[(Z)-1-chloro-2-phenylethenyl] acetate
CID 101229126
[(Z)-1-(4-methylphenyl)-3-oxo-3-phenylprop-1-en-2-yl] acetate
CID 132576918
2,2,2-trifluoroethyl (Z)-2-acetyloxy-3-phenylprop-2-enoate
CID 102380610
2-methoxy-3-phenylprop-2-enoic acid
CID 7021154
CID 159805914
CID 159805914
europium;tris(2-methoxy-3-phenylprop-2-enoic acid)
CID 169448208
(E)-3-methyl-2-oxo-4-phenylbut-3-enoic acid
CID 15110556
acetyl 3-phenylprop-2-enoate
CID 57206996
[(1Z,3E)-4-(5,5-dimethyl-2-oxido-1,3,2-dioxaphosphinan-2-ium-2-yl)-1,3-diphenylbuta-1,3-dien-2-yl] acetate
CID 102064291
(2-methyl-3-phenylprop-2-enyl) acetate
CID 3085847
[(Z)-3-methoxy-3-oxo-1-phenylprop-1-en-2-yl] benzoate
CID 134873004
[(E)-1-methoxy-3-oxo-3-phenylprop-1-en-2-yl] acetate
CID 132538322

Frequently Asked Questions

What is the IUPAC name of [(1E,3E)-3-acetyloxy-1,4-diphenylbuta-1,3-dien-2-yl] acetate?
The IUPAC name of [(1E,3E)-3-acetyloxy-1,4-diphenylbuta-1,3-dien-2-yl] acetate (CID 102523704) is [(1E,3E)-3-acetyloxy-1,4-diphenylbuta-1,3-dien-2-yl] acetate.
What is the SMILES notation for [(1E,3E)-3-acetyloxy-1,4-diphenylbuta-1,3-dien-2-yl] acetate?
The canonical SMILES for [(1E,3E)-3-acetyloxy-1,4-diphenylbuta-1,3-dien-2-yl] acetate is CC(=O)OC(=C/c1ccccc1)/C(=C\c1ccccc1)OC(C)=O.
What is the InChIKey of [(1E,3E)-3-acetyloxy-1,4-diphenylbuta-1,3-dien-2-yl] acetate?
The InChIKey is VOAROIZUGMCKNC-IWGRKNQJSA-N. The full InChI is InChI=1S/C20H18O4/c1-15(21)23-19(13-17-9-5-3-6-10-17)20(24-16(2)22)14-18-11-7-4-8-12-18/h3-14H,1-2H3/b19-13+,20-14+.
What are the key properties of [(1E,3E)-3-acetyloxy-1,4-diphenylbuta-1,3-dien-2-yl] acetate?
[(1E,3E)-3-acetyloxy-1,4-diphenylbuta-1,3-dien-2-yl] acetate has a molecular weight of 322.36 g/mol, XLogP of 4.19, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1E,3E)-3-acetyloxy-1,4-diphenylbuta-1,3-dien-2-yl] acetate is sourced from PubChem (CID 102523704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).