ethyl 3,3-bis(4-methoxyphenyl)-2-methylprop-2-enoate

C20H22O4 — CID 19421674

IUPACethyl 3,3-bis(4-methoxyphenyl)-2-methylprop-2-enoate
SMILESCCOC(=O)C(C)=C(c1ccc(OC)cc1)c1ccc(OC)cc1
InChIInChI=1S/C20H22O4/c1-5-24-20(21)14(2)19(15-6-10-17(22-3)11-7-15)16-8-12-18(23-4)13-9-16/h6-13H,5H2,1-4H3
InChIKeyFREQCNFYMWTPKW-UHFFFAOYSA-N
MW326.39 g/mol
LogP4.09
Rot. Bonds6

About ethyl 3,3-bis(4-methoxyphenyl)-2-methylprop-2-enoate

ethyl 3,3-bis(4-methoxyphenyl)-2-methylprop-2-enoate (PubChem CID 19421674) has the molecular formula C20H22O4 and a molecular weight of 326.39 g/mol. Its IUPAC name is ethyl 3,3-bis(4-methoxyphenyl)-2-methylprop-2-enoate.

Molecular Properties

Compound Nameethyl 3,3-bis(4-methoxyphenyl)-2-methylprop-2-enoate
PubChem CID19421674
Molecular FormulaC20H22O4
Molecular Weight326.39 g/mol
Exact Mass326.15
IUPAC Nameethyl 3,3-bis(4-methoxyphenyl)-2-methylprop-2-enoate
SMILESCCOC(=O)C(C)=C(c1ccc(OC)cc1)c1ccc(OC)cc1
InChIInChI=1S/C20H22O4/c1-5-24-20(21)14(2)19(15-6-10-17(22-3)11-7-15)16-8-12-18(23-4)13-9-16/h6-13H,5H2,1-4H3
InChIKeyFREQCNFYMWTPKW-UHFFFAOYSA-N
XLogP4.09
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl (E)-3-(4-methoxyphenyl)-2-methylbut-2-enoate
CID 14981539
ethyl (Z)-2,3-difluoro-4-(4-methoxyphenyl)-4-oxobut-2-enoate
CID 102175200
methyl (E)-3-(4-methoxyphenyl)-2-methyl-3-phenylprop-2-enoate
CID 101149814
ethyl 4-methoxybenzoate;hydrochloride
CID 143432301
diethyl 2-[4-(4-methoxyphenyl)-4-oxobutan-2-ylidene]propanedioate
CID 71552891
ethyl acetate;4-methoxybenzoic acid
CID 158342660
ethyl 2-(4-methoxyphenyl)-2-(4-methoxyphenyl)iminoacetate
CID 11370410
ethyl 4-(4-methoxyphenyl)-3-methyl-2,4-dioxobutanoate
CID 54803380
ethyl 2-(4-methoxybenzoyl)sulfanylacetate
CID 175225578
ethyl 3-hydroxy-2-[(4-methoxyphenyl)iminomethyl]but-2-enoate
CID 136799679
sodium (2Z,4E)-1-ethoxy-6-(4-methoxyphenyl)-1,6-dioxohexa-2,4-dien-2-olate
CID 23699163
ethyl (E)-3-(4-hydroxyphenyl)-2-methylbut-2-enoate
CID 146646679

Frequently Asked Questions

What is the IUPAC name of ethyl 3,3-bis(4-methoxyphenyl)-2-methylprop-2-enoate?
The IUPAC name of ethyl 3,3-bis(4-methoxyphenyl)-2-methylprop-2-enoate (CID 19421674) is ethyl 3,3-bis(4-methoxyphenyl)-2-methylprop-2-enoate.
What is the SMILES notation for ethyl 3,3-bis(4-methoxyphenyl)-2-methylprop-2-enoate?
The canonical SMILES for ethyl 3,3-bis(4-methoxyphenyl)-2-methylprop-2-enoate is CCOC(=O)C(C)=C(c1ccc(OC)cc1)c1ccc(OC)cc1.
What is the InChIKey of ethyl 3,3-bis(4-methoxyphenyl)-2-methylprop-2-enoate?
The InChIKey is FREQCNFYMWTPKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O4/c1-5-24-20(21)14(2)19(15-6-10-17(22-3)11-7-15)16-8-12-18(23-4)13-9-16/h6-13H,5H2,1-4H3.
What are the key properties of ethyl 3,3-bis(4-methoxyphenyl)-2-methylprop-2-enoate?
ethyl 3,3-bis(4-methoxyphenyl)-2-methylprop-2-enoate has a molecular weight of 326.39 g/mol, XLogP of 4.09, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3,3-bis(4-methoxyphenyl)-2-methylprop-2-enoate is sourced from PubChem (CID 19421674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).