methyl (2E,4E)-5-(2-methoxyphenyl)-5-(4-methoxyphenyl)penta-2,4-dienoate

C20H20O4 — CID 14347267

IUPACmethyl (2E,4E)-5-(2-methoxyphenyl)-5-(4-methoxyphenyl)penta-2,4-dienoate
SMILESCOC(=O)/C=C/C=C(\c1ccc(OC)cc1)c1ccccc1OC
InChIInChI=1S/C20H20O4/c1-22-16-13-11-15(12-14-16)17(8-6-10-20(21)24-3)18-7-4-5-9-19(18)23-2/h4-14H,1-3H3/b10-6+,17-8+
InChIKeyFXJMGKRODYAUSF-XAOWMYDVSA-N
MW324.38 g/mol
LogP3.86
Rot. Bonds6

About methyl (2E,4E)-5-(2-methoxyphenyl)-5-(4-methoxyphenyl)penta-2,4-dienoate

methyl (2E,4E)-5-(2-methoxyphenyl)-5-(4-methoxyphenyl)penta-2,4-dienoate (PubChem CID 14347267) has the molecular formula C20H20O4 and a molecular weight of 324.38 g/mol. Its IUPAC name is methyl (2E,4E)-5-(2-methoxyphenyl)-5-(4-methoxyphenyl)penta-2,4-dienoate.

Molecular Properties

Compound Namemethyl (2E,4E)-5-(2-methoxyphenyl)-5-(4-methoxyphenyl)penta-2,4-dienoate
PubChem CID14347267
Molecular FormulaC20H20O4
Molecular Weight324.38 g/mol
Exact Mass324.14
IUPAC Namemethyl (2E,4E)-5-(2-methoxyphenyl)-5-(4-methoxyphenyl)penta-2,4-dienoate
SMILESCOC(=O)/C=C/C=C(\c1ccc(OC)cc1)c1ccccc1OC
InChIInChI=1S/C20H20O4/c1-22-16-13-11-15(12-14-16)17(8-6-10-20(21)24-3)18-7-4-5-9-19(18)23-2/h4-14H,1-3H3/b10-6+,17-8+
InChIKeyFXJMGKRODYAUSF-XAOWMYDVSA-N
XLogP3.86
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 ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

methyl 5-(4-methoxyphenyl)-5-phenylpenta-2,4-dienoate
CID 54355919
methyl (2Z)-5,5-diphenylpenta-2,4-dienoate
CID 92534378
ethyl (E)-3-(2-methoxyphenyl)-3-(4-methoxyphenyl)prop-2-enoate
CID 102309809
(2E,4Z)-5-(2-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienoic acid
CID 87620296
methyl (E)-3-[2-[4-(4-methoxyphenoxy)phenoxy]phenyl]prop-2-enoate
CID 73427465
(Z)-3-(2-methoxyphenyl)-3-(4-methylphenyl)prop-2-enoic acid
CID 83564407
3-(2-methoxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one
CID 3292811
3-(2-methoxyanilino)-1-(4-methoxyphenyl)prop-2-en-1-one
CID 758643
3,3-bis(2-methoxyphenyl)prop-2-enal
CID 14347228
methyl 2-[[(Z)-3-(4-methoxyphenyl)-3-oxoprop-1-enyl]amino]benzoate
CID 101360662
4-methoxy-N'-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]benzohydrazide
CID 926990
(Z)-3-(4-methoxyphenyl)-3-phenylprop-2-enal
CID 14547230

Frequently Asked Questions

What is the IUPAC name of methyl (2E,4E)-5-(2-methoxyphenyl)-5-(4-methoxyphenyl)penta-2,4-dienoate?
The IUPAC name of methyl (2E,4E)-5-(2-methoxyphenyl)-5-(4-methoxyphenyl)penta-2,4-dienoate (CID 14347267) is methyl (2E,4E)-5-(2-methoxyphenyl)-5-(4-methoxyphenyl)penta-2,4-dienoate.
What is the SMILES notation for methyl (2E,4E)-5-(2-methoxyphenyl)-5-(4-methoxyphenyl)penta-2,4-dienoate?
The canonical SMILES for methyl (2E,4E)-5-(2-methoxyphenyl)-5-(4-methoxyphenyl)penta-2,4-dienoate is COC(=O)/C=C/C=C(\c1ccc(OC)cc1)c1ccccc1OC.
What is the InChIKey of methyl (2E,4E)-5-(2-methoxyphenyl)-5-(4-methoxyphenyl)penta-2,4-dienoate?
The InChIKey is FXJMGKRODYAUSF-XAOWMYDVSA-N. The full InChI is InChI=1S/C20H20O4/c1-22-16-13-11-15(12-14-16)17(8-6-10-20(21)24-3)18-7-4-5-9-19(18)23-2/h4-14H,1-3H3/b10-6+,17-8+.
What are the key properties of methyl (2E,4E)-5-(2-methoxyphenyl)-5-(4-methoxyphenyl)penta-2,4-dienoate?
methyl (2E,4E)-5-(2-methoxyphenyl)-5-(4-methoxyphenyl)penta-2,4-dienoate has a molecular weight of 324.38 g/mol, XLogP of 3.86, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2E,4E)-5-(2-methoxyphenyl)-5-(4-methoxyphenyl)penta-2,4-dienoate is sourced from PubChem (CID 14347267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).