ethyl 3,4-bis(4-methoxyphenyl)but-3-enoate

C20H22O4 — CID 67000278

IUPACethyl 3,4-bis(4-methoxyphenyl)but-3-enoate
SMILESCCOC(=O)CC(=Cc1ccc(OC)cc1)c1ccc(OC)cc1
InChIInChI=1S/C20H22O4/c1-4-24-20(21)14-17(16-7-11-19(23-3)12-8-16)13-15-5-9-18(22-2)10-6-15/h5-13H,4,14H2,1-3H3
InChIKeyIBWGNERUAICSGM-UHFFFAOYSA-N
MW326.39 g/mol
LogP4.20
Rot. Bonds7

About ethyl 3,4-bis(4-methoxyphenyl)but-3-enoate

ethyl 3,4-bis(4-methoxyphenyl)but-3-enoate (PubChem CID 67000278) has the molecular formula C20H22O4 and a molecular weight of 326.39 g/mol. Its IUPAC name is ethyl 3,4-bis(4-methoxyphenyl)but-3-enoate.

Molecular Properties

Compound Nameethyl 3,4-bis(4-methoxyphenyl)but-3-enoate
PubChem CID67000278
Molecular FormulaC20H22O4
Molecular Weight326.39 g/mol
Exact Mass326.15
IUPAC Nameethyl 3,4-bis(4-methoxyphenyl)but-3-enoate
SMILESCCOC(=O)CC(=Cc1ccc(OC)cc1)c1ccc(OC)cc1
InChIInChI=1S/C20H22O4/c1-4-24-20(21)14-17(16-7-11-19(23-3)12-8-16)13-15-5-9-18(22-2)10-6-15/h5-13H,4,14H2,1-3H3
InChIKeyIBWGNERUAICSGM-UHFFFAOYSA-N
XLogP4.20
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-methoxy-4-[(Z)-1-(4-methoxyphenyl)but-1-en-2-yl]benzene
CID 22860829
ethyl 5,5-bis(4-methoxyphenyl)-3-oxopent-4-enoate
CID 13200807
methyl (Z)-2-ethoxy-3-(4-methoxyphenyl)prop-2-enoate
CID 70545359
ethyl (2E)-2-[(4-methoxyphenyl)methylidene]-3-oxobutanoate
CID 6019202
ethyl 3-(4-methoxyphenyl)-3-oxopropanoate;1-(4-methoxyphenyl)ethanone
CID 158865973
ethyl (2Z)-2-[(4-methoxyphenyl)methylidene]-3-oxobutanoate
CID 5388605
(Z)-2-ethoxy-3-(4-methoxyphenyl)prop-2-enal
CID 46183091
(E)-3-ethoxy-3-methoxy-1-(4-methoxyphenyl)prop-2-en-1-one
CID 59487970
2-methoxy-3-(4-methoxyphenyl)prop-2-enamide
CID 165349278
ethyl 2-(4-methoxybenzoyl)sulfanylacetate
CID 175225578
ethyl 4-methoxybenzoate;hydrochloride
CID 143432301
ethyl 2-[3,3-bis(4-methoxyphenyl)prop-2-enoylamino]acetate
CID 57250494

Frequently Asked Questions

What is the IUPAC name of ethyl 3,4-bis(4-methoxyphenyl)but-3-enoate?
The IUPAC name of ethyl 3,4-bis(4-methoxyphenyl)but-3-enoate (CID 67000278) is ethyl 3,4-bis(4-methoxyphenyl)but-3-enoate.
What is the SMILES notation for ethyl 3,4-bis(4-methoxyphenyl)but-3-enoate?
The canonical SMILES for ethyl 3,4-bis(4-methoxyphenyl)but-3-enoate is CCOC(=O)CC(=Cc1ccc(OC)cc1)c1ccc(OC)cc1.
What is the InChIKey of ethyl 3,4-bis(4-methoxyphenyl)but-3-enoate?
The InChIKey is IBWGNERUAICSGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O4/c1-4-24-20(21)14-17(16-7-11-19(23-3)12-8-16)13-15-5-9-18(22-2)10-6-15/h5-13H,4,14H2,1-3H3.
What are the key properties of ethyl 3,4-bis(4-methoxyphenyl)but-3-enoate?
ethyl 3,4-bis(4-methoxyphenyl)but-3-enoate has a molecular weight of 326.39 g/mol, XLogP of 4.20, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3,4-bis(4-methoxyphenyl)but-3-enoate is sourced from PubChem (CID 67000278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).