ethyl (2E,4E)-5-(3-methoxyphenyl)-5-phenylpenta-2,4-dienoate

C20H20O3 — CID 88605067

IUPACethyl (2E,4E)-5-(3-methoxyphenyl)-5-phenylpenta-2,4-dienoate
SMILESCCOC(=O)/C=C/C=C(\c1ccccc1)c1cccc(OC)c1
InChIInChI=1S/C20H20O3/c1-3-23-20(21)14-8-13-19(16-9-5-4-6-10-16)17-11-7-12-18(15-17)22-2/h4-15H,3H2,1-2H3/b14-8+,19-13+
InChIKeyWKSPEVZIFJZXFU-WPKBKWLWSA-N
MW308.38 g/mol
LogP4.25
Rot. Bonds6

About ethyl (2E,4E)-5-(3-methoxyphenyl)-5-phenylpenta-2,4-dienoate

ethyl (2E,4E)-5-(3-methoxyphenyl)-5-phenylpenta-2,4-dienoate (PubChem CID 88605067) has the molecular formula C20H20O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is ethyl (2E,4E)-5-(3-methoxyphenyl)-5-phenylpenta-2,4-dienoate.

Molecular Properties

Compound Nameethyl (2E,4E)-5-(3-methoxyphenyl)-5-phenylpenta-2,4-dienoate
PubChem CID88605067
Molecular FormulaC20H20O3
Molecular Weight308.38 g/mol
Exact Mass308.14
IUPAC Nameethyl (2E,4E)-5-(3-methoxyphenyl)-5-phenylpenta-2,4-dienoate
SMILESCCOC(=O)/C=C/C=C(\c1ccccc1)c1cccc(OC)c1
InChIInChI=1S/C20H20O3/c1-3-23-20(21)14-8-13-19(16-9-5-4-6-10-16)17-11-7-12-18(15-17)22-2/h4-15H,3H2,1-2H3/b14-8+,19-13+
InChIKeyWKSPEVZIFJZXFU-WPKBKWLWSA-N
XLogP4.25
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

ethyl (3E)-6,6-bis(3-methoxyphenyl)hexa-3,5-dienoate
CID 172805564
ethyl (2E,4E)-5-phenyl-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienoate
CID 57386566
(2E,4Z)-5-(3-fluorophenyl)-5-(3-methoxyphenyl)penta-2,4-dienoic acid
CID 14347301
methyl 5-(4-methoxyphenyl)-5-phenylpenta-2,4-dienoate
CID 54355919
methyl (2Z)-5,5-diphenylpenta-2,4-dienoate
CID 92534378
(4-nitrophenyl) (2E)-5,5-bis(3-methoxyphenyl)penta-2,4-dienoate
CID 14347314
ethyl (Z)-3-(3-methylphenyl)-3-phenylprop-2-enoate
CID 11414453
ethyl 3-(4-methoxyphenyl)-3-phenylprop-2-enoate
CID 85223132
ethyl (Z)-3-(4-methoxyphenyl)-3-phenylprop-2-enoate
CID 10967969
ethyl (E)-3-(3-methoxyphenyl)prop-2-enoate
CID 5373781
ethyl (E)-4-(3-methoxyanilino)but-2-enoate
CID 80546156
[2-(3-methoxyphenyl)-2-oxoethyl] hexa-2,4-dienoate
CID 3804002

Frequently Asked Questions

What is the IUPAC name of ethyl (2E,4E)-5-(3-methoxyphenyl)-5-phenylpenta-2,4-dienoate?
The IUPAC name of ethyl (2E,4E)-5-(3-methoxyphenyl)-5-phenylpenta-2,4-dienoate (CID 88605067) is ethyl (2E,4E)-5-(3-methoxyphenyl)-5-phenylpenta-2,4-dienoate.
What is the SMILES notation for ethyl (2E,4E)-5-(3-methoxyphenyl)-5-phenylpenta-2,4-dienoate?
The canonical SMILES for ethyl (2E,4E)-5-(3-methoxyphenyl)-5-phenylpenta-2,4-dienoate is CCOC(=O)/C=C/C=C(\c1ccccc1)c1cccc(OC)c1.
What is the InChIKey of ethyl (2E,4E)-5-(3-methoxyphenyl)-5-phenylpenta-2,4-dienoate?
The InChIKey is WKSPEVZIFJZXFU-WPKBKWLWSA-N. The full InChI is InChI=1S/C20H20O3/c1-3-23-20(21)14-8-13-19(16-9-5-4-6-10-16)17-11-7-12-18(15-17)22-2/h4-15H,3H2,1-2H3/b14-8+,19-13+.
What are the key properties of ethyl (2E,4E)-5-(3-methoxyphenyl)-5-phenylpenta-2,4-dienoate?
ethyl (2E,4E)-5-(3-methoxyphenyl)-5-phenylpenta-2,4-dienoate has a molecular weight of 308.38 g/mol, XLogP of 4.25, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2E,4E)-5-(3-methoxyphenyl)-5-phenylpenta-2,4-dienoate is sourced from PubChem (CID 88605067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).